Information card for entry 2202096

Structure parameters

• Chemical name: r-2,c-6-bis(4-chlorophenyl)-3,5-dimethyltetrahydropyran-t-4-ol
• Formula: C19 H20 Cl2 O2
• Calculated formula: C19 H20 Cl2 O2
• SMILES: Clc1ccc([C@H]2O[C@H]([C@@H](C(O)[C@@H]2C)C)c2ccc(Cl)cc2)cc1
• Title of publication: <i>r</i>-2,<i>c</i>-6-Bis(4-chlorophenyl)-3,5-dimethyltetrahydropyran-<i>t</i>-4-ol
• Authors of publication: Krishnamoorthy, Belli Sundaram; Sarangarajan, Thanjavur Ramabhadran; Thanikachalam, Kanagasabapathy; Panchanatheswaran, Krishnaswamy; Jeyaraman, Ramasubbu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o111 - o113
• a: 12.1315 ± 0.0009 Å
• b: 11.7075 ± 0.0019 Å
• c: 26.177 ± 0.003 Å
• α: 90°
• β: 99.728 ± 0.009°
• γ: 90°
• Cell volume: 3664.4 ± 0.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0724
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No