Information card for entry 2105562

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: 7.8616 ± 0.0007 Å
• b: 3.928 ± 0.0006 Å
• c: 15.713 ± 0.003 Å
• α: 90°
• β: 102.616 ± 0.013°
• γ: 90°
• Cell volume: 473.51 ± 0.13 ų
• Cell temperature: 230 ± 1 K
• Ambient diffraction temperature: 230 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.157
• Weighted residual factors for significantly intense reflections: 0.138
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No