Information card for entry 2224088

Structure parameters

• Chemical name: <i>N</i>-[(<i>R</i>)-(2-chlorophenyl)(cyclopentyl)methyl]- <i>N</i>-[(<i>R</i>)-(2-hydroxy-5-methylphenyl)(phenyl)methyl]acetamide
• Formula: C28 H30 Cl N O2
• Calculated formula: C28 H30 Cl N O2
• SMILES: Clc1c([C@H](N([C@@H](c2c(O)ccc(c2)C)c2ccccc2)C(=O)C)C2CCCC2)cccc1
• Title of publication: <i>N</i>-[(<i>R</i>)-(2-Chlorophenyl)(cyclopentyl)methyl]-<i>N</i>-[(<i>R</i>)-(2-hydroxy-5-methylphenyl)(phenyl)methyl]acetamide
• Authors of publication: Zhang, Guang-You; Chen, Di-Juan; Wang, Shu-Hong; Yang, Ting; Chang, Jian-Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2948
• a: 8.8038 ± 0.0008 Å
• b: 11.3417 ± 0.001 Å
• c: 25.485 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2544.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes