Information card for entry 4117115

Structure parameters

• Formula: C47 H47 N O6
• Calculated formula: C47 H35 N O6
• SMILES: O1C(=O)C2=C(C31Oc1c(c4c(cc1)cccc4)c1c(O3)ccc3ccccc13)C([C@@]1(N(c3c(C1=C2C(C)C)cccc3)C)C)(C)C.O=C(C)C.O=C(C)C
• Title of publication: Diastereoselective Photochromism of an (R)-Binaphthol-Condensed Indolylfulgide
• Authors of publication: Yasushi Yokoyama; Soichi Uchida; Yayoi Yokoyama; Yoko Sugawara; Yukio Kurita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 3100 - 3107
• a: 10.941 ± 0.009 Å
• b: 13.861 ± 0.01 Å
• c: 13.141 ± 0.008 Å
• α: 90°
• β: 99.89 ± 0.05°
• γ: 90°
• Cell volume: 1963 ± 2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections: 0.1634
• Weighted residual factors for significantly intense reflections: 0.1459
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No