Information card for entry 2007403

Structure parameters

• Common name: phenanthrene-4-carboxylic acid
• Formula: C15 H10 O2
• Calculated formula: C15 H10 O2
• Title of publication: Phenanthrene-4-carboxylic Acid and 1,2-Dihydrophenanthrene-4-carboxylic Acid
• Authors of publication: Fitzgerald, Lawrence J.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 966 - 969
• a: 10.01 ± 0.002 Å
• b: 10.737 ± 0.002 Å
• c: 10.512 ± 0.002 Å
• α: 90°
• β: 99.41 ± 0.01°
• γ: 90°
• Cell volume: 1114.6 ± 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: 0.049
• Weighted residual factors for all reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No