Information card for entry 7205487

Structure parameters

• Formula: C32 H24 O2
• Calculated formula: C32.007 H24.007 O2
• Title of publication: In situ observation and mechanistic elucidation of metastable colored species in crystalline state photochromism of trans-biindenylidenedione
• Authors of publication: Fujii, Kotaro; Aruga, Kumiko; Sekine, Akiko; Uekusa, Hidehiro; Sohno, Katsuya; Tanaka, Koichi
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 731
• a: 11.3843 ± 0.0015 Å
• b: 14.2937 ± 0.0019 Å
• c: 15.125 ± 0.002 Å
• α: 90°
• β: 111.656 ± 0.003°
• γ: 90°
• Cell volume: 2287.5 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.0712
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No