Information card for entry 7206085

Structure parameters

• Common name: 9-Acetyl-anthracene
• Chemical name: 9-Acetyl-anthracene
• Formula: C16 H12 O
• Calculated formula: C16 H12 O
• SMILES: O=C(c1c2ccccc2cc2ccccc12)C
• Title of publication: Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds
• Authors of publication: Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 4376
• a: 8.319 ± 0.002 Å
• b: 16.294 ± 0.003 Å
• c: 9.718 ± 0.002 Å
• α: 90°
• β: 117.5 ± 0.03°
• γ: 90°
• Cell volume: 1168.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1147
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No