Information card for entry 2006495

Structure parameters

• Common name: phenanthrene-9-carboxylic acid
• Chemical name: phenanthrene-9-carboxylic acid
• Formula: C15 H10 O2
• Calculated formula: C15 H10 O2
• SMILES: OC(=O)c1cc2ccccc2c2c1cccc2
• Title of publication: Phenanthrene-9-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: 9
• Pages of publication: 1265 - 1267
• a: 19.824 ± 0.002 Å
• b: 5.373 ± 0.002 Å
• c: 21.638 ± 0.001 Å
• α: 90°
• β: 113.308 ± 0.006°
• γ: 90°
• Cell volume: 2116.7 ± 0.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No