Information card for entry 1549466

Structure parameters

• Formula: C38 H22.2 O2
• Calculated formula: C37.996 H22.2 O1.9992
• Title of publication: Stepwise photochromism of bisnaphthopyrans exhibiting an excitation intensity-dependent color change.
• Authors of publication: Inagaki, Yuki; Mutoh, Katsuya; Abe, Jiro
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2018
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 946 - 953
• a: 7.538 ± 0.002 Å
• b: 9.367 ± 0.003 Å
• c: 18.374 ± 0.005 Å
• α: 90°
• β: 100.039 ± 0.004°
• γ: 90°
• Cell volume: 1277.5 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No