Information card for entry 2235494

Structure parameters

• Chemical name: 1-(2-Chlorobenzyl)-3,5-dimethyl-2,6-diphenylpiperidine
• Formula: C26 H28 Cl N
• Calculated formula: C26 H28 Cl N
• SMILES: Clc1ccccc1CN1[C@H](c2ccccc2)[C@H](C)C[C@@H](C)[C@@H]1c1ccccc1.Clc1ccccc1CN1[C@@H](c2ccccc2)[C@@H](C)C[C@H](C)[C@H]1c1ccccc1
• Title of publication: 1-(2-Chlorobenzyl)-3,5-dimethyl-2,6-diphenylpiperidine
• Authors of publication: Ramalingan, Chennan; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2301 - o2302
• a: 13.494 ± 0.0006 Å
• b: 17.3005 ± 0.0006 Å
• c: 18.5078 ± 0.0006 Å
• α: 90°
• β: 100.892 ± 0.004°
• γ: 90°
• Cell volume: 4242.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0753
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes