Information card for entry 2105560

Structure parameters

• Chemical name: anthraquinone
• Formula: C14 H8 O2
• Calculated formula: C14 H8 O2
• SMILES: O=C1c2ccccc2C(=O)c2c1cccc2
• Title of publication: Temperature Dependence of the Rigid-Body Motion of Anthraquinone
• Authors of publication: Fu, Y.; Brock, C. P.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 308 - 315
• a: 7.8684 ± 0.0005 Å
• b: 3.9634 ± 0.0003 Å
• c: 15.7839 ± 0.0013 Å
• α: 90°
• β: 102.687 ± 0.006°
• γ: 90°
• Cell volume: 480.21 ± 0.06 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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: 0.072
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.104
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No