Information card for entry 2237961

Structure parameters

• Chemical name: 2-(9<i>H</i>-Fluoren-9-yl)-4-(4-fluoroanilino)-4-oxobutanoic acid
• Formula: C23 H18 F N O3
• Calculated formula: C23 H18 F N O3
• SMILES: c1(ccc(cc1)F)NC(=O)CC(C(=O)O)C1c2ccccc2c2c1cccc2
• Title of publication: 2-(9<i>H</i>-Fluoren-9-yl)-4-(4-fluoroanilino)-4-oxobutanoic acid
• Authors of publication: Matviiuk, Tetiana; Baltas, Michel; Voitenko, Zoia; Gorichko, Marian; Lherbet, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o963
• a: 10.2048 ± 0.0006 Å
• b: 18.517 ± 0.0011 Å
• c: 9.6164 ± 0.0006 Å
• α: 90°
• β: 90.494 ± 0.004°
• γ: 90°
• Cell volume: 1817.07 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1283
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes