Information card for entry 2007528

Structure parameters

• Common name: ortho-(1-naphthoyl)benzoic acid
• Formula: C18 H12 O3
• Calculated formula: C18 H12 O3
• SMILES: OC(=O)c1ccccc1C(=O)c1cccc2c1cccc2
• Title of publication: <i>ortho</i>-(1-Naphthoyl)benzoic Acid
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1184 - 1186
• a: 17.218 ± 0.002 Å
• b: 8.121 ± 0.002 Å
• c: 19.301 ± 0.001 Å
• α: 90°
• β: 91.264 ± 0.007°
• γ: 90°
• Cell volume: 2698.2 ± 0.7 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
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No