Information card for entry 2207148

Structure parameters

• Chemical name: N,6-Bis(4-fluorophenyl)-2-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran- 3-carboxamide
• Formula: C24 H21 F2 N O3
• Calculated formula: C24 H21 F2 N O3
• SMILES: c1(ccc(cc1)[C@@H]1CC[C@H]([C@H](c2ccc(cc2)O)O1)C(=O)Nc1ccc(cc1)F)F
• Title of publication: (2<i>R</i>*,3<i>R</i>*,6<i>S</i>*)-<i>N</i>,6-Bis(4-fluorophenyl)-2-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3-carboxamide
• Authors of publication: G. Y. S. K. Swamy; K. Ravikumar; L. K. Wadhwa; Rahul Saxena; Saranjit Singh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3608 - o3610
• a: 6.1397 ± 0.0005 Å
• b: 7.6596 ± 0.0007 Å
• c: 11.1439 ± 0.001 Å
• α: 72.484 ± 0.001°
• β: 89.979 ± 0.001°
• γ: 85.553 ± 0.002°
• Cell volume: 498.12 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes