Information card for entry 2006457

Structure parameters

• Common name: 4-(3-phenanthryl)butanoic acid
• Formula: C18 H16 O2
• Calculated formula: C18 H16 O2
• SMILES: OC(=O)CCCc1ccc2c(c1)c1ccccc1cc2
• Title of publication: 4-(3-Phenanthryl)butanoic Acid
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1275 - 1278
• a: 10.58 ± 0.002 Å
• b: 5.034 ± 0.002 Å
• c: 25.762 ± 0.002 Å
• α: 90°
• β: 91.56 ± 0.01°
• γ: 90°
• Cell volume: 1371.6 ± 0.6 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No