Information card for entry 2204635

Structure parameters

• Chemical name: 2,4-Bis(pyridine-2-carbonyl)-1-(2-pyridyl)-3,5-bis(4-tolyl)cyclohex-1-ol
• Formula: C37 H33 N3 O3
• Calculated formula: C37 H33 N3 O3
• SMILES: c1(ccccn1)[C@@]1([C@@H](C(=O)c2ccccn2)[C@H](c2ccc(cc2)C)[C@H](C(=O)c2ccccn2)[C@H](c2ccc(cc2)C)C1)O.c1(ccccn1)[C@]1([C@H](C(=O)c2ccccn2)[C@@H](c2ccc(cc2)C)[C@@H](C(=O)c2ccccn2)[C@@H](c2ccc(cc2)C)C1)O
• Title of publication: 2,4-Bis(pyridine-2-carbonyl)-1-(2-pyridyl)-3,5-di-<i>p</i>-tolylcyclohex-1-ol
• Authors of publication: K. R. Krishnapriya; N. Sampath; S. Aravindhan; M. N. Ponnuswamy; M. Kandaswamy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2353 - o2355
• a: 8.534 ± 0.007 Å
• b: 34.067 ± 0.01 Å
• c: 10.458 ± 0.005 Å
• α: 90°
• β: 98.91 ± 0.05°
• γ: 90°
• Cell volume: 3004 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1744
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes