Information card for entry 7200773

Structure parameters

• Chemical name: (Z)-2-(9-anthrylmethylene)-1-indanone
• Formula: C24 H16 O
• Calculated formula: C24 H16 O
• SMILES: O=C1/C(=C\c2c3ccccc3cc3c2cccc3)Cc2c1cccc2
• Title of publication: Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones
• Authors of publication: Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1235
• a: 11.6222 ± 0.0008 Å
• b: 13.9067 ± 0.0009 Å
• c: 10.3985 ± 0.0007 Å
• α: 90°
• β: 102.513 ± 0.001°
• γ: 90°
• Cell volume: 1640.75 ± 0.19 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No