Information card for entry 2214554

Structure parameters

• Chemical name: 2-(4-Fluorophenyl)-1-(4-pyridyl)cyclopentan-1-ol
• Formula: C16 H16 F N O
• Calculated formula: C16 H16 F N O
• SMILES: [C@@]1([C@@H](CCC1)c1ccc(cc1)F)(O)c1ccncc1.[C@]1([C@H](CCC1)c1ccc(cc1)F)(O)c1ccncc1
• Title of publication: 2-(4-Fluorophenyl)-1-(4-pyridyl)cyclopentan-1-ol
• Authors of publication: Abu Thaher, Bassam; Schollmeyer, Dieter; Laufer, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3531 - o3531
• a: 11.7228 ± 0.0008 Å
• b: 13.6606 ± 0.0008 Å
• c: 8.6194 ± 0.0011 Å
• α: 90°
• β: 104.366 ± 0.01°
• γ: 90°
• Cell volume: 1337.2 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.2328
• Residual factor for significantly intense reflections: 0.1255
• Weighted residual factors for significantly intense reflections: 0.3055
• Weighted residual factors for all reflections included in the refinement: 0.3608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes