Information card for entry 2218279

Structure parameters

• Common name: 2,6‒Diphenyl‒piperidine
• Chemical name: (1-Acetyl-2,6-diphenylpiperidin-4-ylidene)(phenyl)acetonitrile
• Formula: C27 H24 N2 O
• Calculated formula: C27 H24 N2 O
• SMILES: O=C(N1[C@@H](C/C(=C(\C#N)c2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1)C
• Title of publication: (1-Acetyl-2,6-diphenylpiperidin-4-ylidene)(phenyl)acetonitrile
• Authors of publication: Manimekalai, A.; Balamurugan, A.; Balamurugan, S.; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o797
• a: 9.4034 ± 0.0017 Å
• b: 10.646 ± 0.006 Å
• c: 10.886 ± 0.0018 Å
• α: 90.45 ± 0.02°
• β: 99.957 ± 0.014°
• γ: 101.98 ± 0.03°
• Cell volume: 1048.9 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1978
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes