Information card for entry 2105563

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: 7.8621 ± 0.0009 Å
• b: 3.9121 ± 0.0007 Å
• c: 15.679 ± 0.004 Å
• α: 90°
• β: 102.591 ± 0.015°
• γ: 90°
• Cell volume: 470.65 ± 0.16 ų
• Cell temperature: 197 ± 1 K
• Ambient diffraction temperature: 197 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.146
• Weighted residual factors for significantly intense reflections: 0.132
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No