Information card for entry 2006395

Structure parameters

• Formula: C17 H21 N O
• Calculated formula: C17 H21 N O
• SMILES: O=C1CC/C(=C2\CCN(CC2)c2ccccc2)CC1
• Title of publication: 4-(1-Phenylpiperidin-4-ylidene)cyclohexanone
• Authors of publication: Kooijman, Huub; Spek, Anthony L.; Hoogesteger, Frans J.; Jenneskens, Leonardus W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1156 - 1158
• a: 12.3962 ± 0.0008 Å
• b: 7.8062 ± 0.0005 Å
• c: 30.305 ± 0.0002 Å
• α: 90°
• β: 106.319 ± 0.005°
• γ: 90°
• Cell volume: 2814.4 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.063
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.148
• Weighted residual factors for significantly intense reflections: 0.148
• Goodness-of-fit parameter for all reflections: 0.96
• Goodness-of-fit parameter for significantly intense reflections: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No