Information card for entry 8100430

Structure parameters

• Formula: C24 H27 Cl F N O2
• Calculated formula: C24 H27 Cl F N O2
• SMILES: Clc1ccc(C2(O)CCN(C[C@@H]3[C@@H](C(=O)c4ccc(F)cc4)CCC3)CC2)cc1.Clc1ccc(C2(O)CCN(C[C@H]3[C@H](C(=O)c4ccc(F)cc4)CCC3)CC2)cc1
• Title of publication: Crystal structure of {2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl- methyl]cyclopentyl}-(4-fluorophenyl)-methanone, C~24~H~27~ClFNO~2~
• Authors of publication: Casellato, U.; Graziani, R.; Teijeira, M.; Uriarte, E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 437 - 438
• a: 9.494 ± 0.002 Å
• b: 10.769 ± 0.002 Å
• c: 11.377 ± 0.003 Å
• α: 87.18 ± 0.03°
• β: 67.27 ± 0.03°
• γ: 88.01 ± 0.03°
• Cell volume: 1071.4 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.3021
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No