Information card for entry 2207691

Structure parameters

• Chemical name: 1-Cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline- 2,5-dione
• Formula: C22 H26 F N O2
• Calculated formula: C22 H26 F N O2
• SMILES: Fc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)CC(C2)(C)C)C1CCCC1
• Title of publication: 1-Cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5-dione
• Authors of publication: Shujiang Tu; Xiaotong Zhu; Jinpeng Zhang; Jianing Xu; Qian Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4372 - o4373
• a: 10.3031 ± 0.0016 Å
• b: 10.7991 ± 0.0017 Å
• c: 17.207 ± 0.003 Å
• α: 90°
• β: 101.942 ± 0.003°
• γ: 90°
• Cell volume: 1873.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes