Information card for entry 7225388

Structure parameters

• Formula: C24 H16 O
• Calculated formula: C24 H16 O
• SMILES: O=C1/C(=C/c2c3ccccc3cc3ccccc23)Cc2c1cccc2
• Title of publication: Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation
• Authors of publication: Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 38
• Pages of publication: 7305
• a: 14.6606 ± 0.0018 Å
• b: 8.689 ± 0.0012 Å
• c: 25.95 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3305.7 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No