Structure and coloration of 1,1′-Spirobiindan-4,4′7,7′- tetrol

H. Uekusa, Shigeru Ohba, Y. Saito, T. Tanaka

Research output: Contribution to journalArticle

Abstract

Mo Kα, λ = 0·71073 Å. Dihydrate, (I), C 17H16O4.2H2O, Mr = 320·33, monoclinic, I2/a, α = 14·371 (2), b = 10·229 (2), c = 10·469 (1) Å, β = 99·44(1)°, V = 1518·1 (4) Å3, Z = 4, Dm (CH 2Cl2/CCl4) = 1·40 (2), Dx = 1·40 Mg m-3, μ = 0·099 mm-1, F(000) = 680, T = 297 (2) K, R = 0·044 for 926 unique reflections. Monohydrate, (II), C17H16O4.H2O, Mr = 302·31, monoclinic, P21/c, a = 10·562(2), 6=13·131(2), c = 9·921 (2) Å, β = 91·13(1)°, V = 1375·7 (4) Å3, Z = 4, Dx = 1·46 Mg m-3, μ = 0·100 mm-1, F(000) = 640, T = 120 (2) K, R = 0·049 for 2268 unique reflections. Sesquidioxane solvate, (III), C17H16O4.1·5C4H 8O2, Mr = 416·45, triclinic, P1̄, a = 9-351 (1), b = 12-394 (1), c = 9·338(1) Å, α =108·79(1), β = 93·80(1), γ = 8508(1)°, V =1019·9 (2) Å3, Z = 2, Dx = 1·36 Mg m-3, μ = 0·093 mm-1, F(000) = 444, T = 120 (2) K, R = 0·053 for 2197 unique reflections. Crystals of (I) are deep blue and have stacking of the hydroquinone moieties with an interplanar distance of 3·25 Å. Such a π-π close contact does not exist in the pale-yellow crystals of (II) and (III). The coloration of (I) seems to be due to an excimer fluorescence.

Original languageEnglish
Pages (from-to)2626-2629
Number of pages4
JournalActa Crystallographica Section C: Crystal Structure Communications
Volume47
Issue number12
DOIs
Publication statusPublished - 1991

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Fluorescence
Crystals
Yellow II
hydroquinone

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)

Cite this

Structure and coloration of 1,1′-Spirobiindan-4,4′7,7′- tetrol. / Uekusa, H.; Ohba, Shigeru; Saito, Y.; Tanaka, T.

In: Acta Crystallographica Section C: Crystal Structure Communications, Vol. 47, No. 12, 1991, p. 2626-2629.

Research output: Contribution to journalArticle

Uekusa, H. ; Ohba, Shigeru ; Saito, Y. ; Tanaka, T. / Structure and coloration of 1,1′-Spirobiindan-4,4′7,7′- tetrol. In: Acta Crystallographica Section C: Crystal Structure Communications. 1991 ; Vol. 47, No. 12. pp. 2626-2629.
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title = "Structure and coloration of 1,1′-Spirobiindan-4,4′7,7′- tetrol",
abstract = "Mo Kα, λ = 0·71073 {\AA}. Dihydrate, (I), C 17H16O4.2H2O, Mr = 320·33, monoclinic, I2/a, α = 14·371 (2), b = 10·229 (2), c = 10·469 (1) {\AA}, β = 99·44(1)°, V = 1518·1 (4) {\AA}3, Z = 4, Dm (CH 2Cl2/CCl4) = 1·40 (2), Dx = 1·40 Mg m-3, μ = 0·099 mm-1, F(000) = 680, T = 297 (2) K, R = 0·044 for 926 unique reflections. Monohydrate, (II), C17H16O4.H2O, Mr = 302·31, monoclinic, P21/c, a = 10·562(2), 6=13·131(2), c = 9·921 (2) {\AA}, β = 91·13(1)°, V = 1375·7 (4) {\AA}3, Z = 4, Dx = 1·46 Mg m-3, μ = 0·100 mm-1, F(000) = 640, T = 120 (2) K, R = 0·049 for 2268 unique reflections. Sesquidioxane solvate, (III), C17H16O4.1·5C4H 8O2, Mr = 416·45, triclinic, P1̄, a = 9-351 (1), b = 12-394 (1), c = 9·338(1) {\AA}, α =108·79(1), β = 93·80(1), γ = 8508(1)°, V =1019·9 (2) {\AA}3, Z = 2, Dx = 1·36 Mg m-3, μ = 0·093 mm-1, F(000) = 444, T = 120 (2) K, R = 0·053 for 2197 unique reflections. Crystals of (I) are deep blue and have stacking of the hydroquinone moieties with an interplanar distance of 3·25 {\AA}. Such a π-π close contact does not exist in the pale-yellow crystals of (II) and (III). The coloration of (I) seems to be due to an excimer fluorescence.",
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T1 - Structure and coloration of 1,1′-Spirobiindan-4,4′7,7′- tetrol

AU - Uekusa, H.

AU - Ohba, Shigeru

AU - Saito, Y.

AU - Tanaka, T.

PY - 1991

Y1 - 1991

N2 - Mo Kα, λ = 0·71073 Å. Dihydrate, (I), C 17H16O4.2H2O, Mr = 320·33, monoclinic, I2/a, α = 14·371 (2), b = 10·229 (2), c = 10·469 (1) Å, β = 99·44(1)°, V = 1518·1 (4) Å3, Z = 4, Dm (CH 2Cl2/CCl4) = 1·40 (2), Dx = 1·40 Mg m-3, μ = 0·099 mm-1, F(000) = 680, T = 297 (2) K, R = 0·044 for 926 unique reflections. Monohydrate, (II), C17H16O4.H2O, Mr = 302·31, monoclinic, P21/c, a = 10·562(2), 6=13·131(2), c = 9·921 (2) Å, β = 91·13(1)°, V = 1375·7 (4) Å3, Z = 4, Dx = 1·46 Mg m-3, μ = 0·100 mm-1, F(000) = 640, T = 120 (2) K, R = 0·049 for 2268 unique reflections. Sesquidioxane solvate, (III), C17H16O4.1·5C4H 8O2, Mr = 416·45, triclinic, P1̄, a = 9-351 (1), b = 12-394 (1), c = 9·338(1) Å, α =108·79(1), β = 93·80(1), γ = 8508(1)°, V =1019·9 (2) Å3, Z = 2, Dx = 1·36 Mg m-3, μ = 0·093 mm-1, F(000) = 444, T = 120 (2) K, R = 0·053 for 2197 unique reflections. Crystals of (I) are deep blue and have stacking of the hydroquinone moieties with an interplanar distance of 3·25 Å. Such a π-π close contact does not exist in the pale-yellow crystals of (II) and (III). The coloration of (I) seems to be due to an excimer fluorescence.

AB - Mo Kα, λ = 0·71073 Å. Dihydrate, (I), C 17H16O4.2H2O, Mr = 320·33, monoclinic, I2/a, α = 14·371 (2), b = 10·229 (2), c = 10·469 (1) Å, β = 99·44(1)°, V = 1518·1 (4) Å3, Z = 4, Dm (CH 2Cl2/CCl4) = 1·40 (2), Dx = 1·40 Mg m-3, μ = 0·099 mm-1, F(000) = 680, T = 297 (2) K, R = 0·044 for 926 unique reflections. Monohydrate, (II), C17H16O4.H2O, Mr = 302·31, monoclinic, P21/c, a = 10·562(2), 6=13·131(2), c = 9·921 (2) Å, β = 91·13(1)°, V = 1375·7 (4) Å3, Z = 4, Dx = 1·46 Mg m-3, μ = 0·100 mm-1, F(000) = 640, T = 120 (2) K, R = 0·049 for 2268 unique reflections. Sesquidioxane solvate, (III), C17H16O4.1·5C4H 8O2, Mr = 416·45, triclinic, P1̄, a = 9-351 (1), b = 12-394 (1), c = 9·338(1) Å, α =108·79(1), β = 93·80(1), γ = 8508(1)°, V =1019·9 (2) Å3, Z = 2, Dx = 1·36 Mg m-3, μ = 0·093 mm-1, F(000) = 444, T = 120 (2) K, R = 0·053 for 2197 unique reflections. Crystals of (I) are deep blue and have stacking of the hydroquinone moieties with an interplanar distance of 3·25 Å. Such a π-π close contact does not exist in the pale-yellow crystals of (II) and (III). The coloration of (I) seems to be due to an excimer fluorescence.

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