Information card for entry 2004985

Structure parameters

• Formula: C14 H8 O3
• Calculated formula: C14 H8 O3
• SMILES: O=C1c2c(c3cccc(c13)C(=O)O)cccc2
• Title of publication: 1-Carboxyfluorenone: an Intramolecularly Hydrogen-Bonded γ-Keto Acid
• Authors of publication: Coté, M. L.; Lalancette, R. A.; Thompson, H. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1535 - 1537
• a: 3.809 ± 0.001 Å
• b: 19.911 ± 0.002 Å
• c: 13.206 ± 0.002 Å
• α: 90°
• β: 91.28 ± 0.01°
• γ: 90°
• Cell volume: 1001.3 ± 0.3 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.091
• Goodness-of-fit parameter for all reflections: 0.75
• Goodness-of-fit parameter for significantly intense reflections: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No