Information card for entry 2006357

Structure parameters

• Common name: anthracene-1-carboxylic acid
• Chemical name: anthracene-1-carboxylic acid
• Formula: C15 H10 O2
• Calculated formula: C15 H10 O2
• SMILES: OC(=O)c1cccc2c1cc1ccccc1c2
• Title of publication: Anthracene-1-carboxylic Acid
• Authors of publication: Fitzgerald, Lawrence J.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1080 - 1082
• a: 20.527 ± 0.002 Å
• b: 6.144 ± 0.002 Å
• c: 8.604 ± 0.002 Å
• α: 90°
• β: 90.08 ± 0.02°
• γ: 90°
• Cell volume: 1085.1 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 1.56
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No