Information card for entry 2233480

Structure parameters

• Chemical name: 10-(4-Methylbenzylidene)anthracen-9(10<i>H</i>)-one
• Formula: C22 H16 O
• Calculated formula: C22 H16 O
• SMILES: O=C1c2c(cccc2)C(=C\c2ccc(cc2)C)/c2c1cccc2
• Title of publication: 10-(4-Methylbenzylidene)anthracen-9(10<i>H</i>)-one
• Authors of publication: Almansour, Abdulrahman I.; Arumugam, Natarajan; Karama, Usama; Razak, Ibrahim Abdul; Arshad, Suhana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o478 - o479
• a: 7.2959 ± 0.0001 Å
• b: 16.3853 ± 0.0002 Å
• c: 13.0028 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1554.43 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes