Information card for entry 2230274

Structure parameters

• Common name: (2<i>R</i>,6<i>S</i>)-<i>tert</i>-Butyl 2-(benzhydrylcarbamoyl)-6- methylmorpholine-4-carboxylate
• Chemical name: (2<i>R</i>,6<i>S</i>)-<i>tert</i>-Butyl 2-[(diphenylmethyl)carbamoyl]-6-methylmorpholine-4-carboxylate
• Formula: C24 H30 N2 O4
• Calculated formula: C24 H30 N2 O4
• SMILES: N1(C[C@@H](O[C@H](C1)C)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C
• Title of publication: (2<i>R</i>,6<i>S</i>)-<i>tert</i>-Butyl 2-(benzhydrylcarbamoyl)-6-methylmorpholine-4-carboxylate
• Authors of publication: Wang, Haiyang; Xia, Guangxin; Liu, Xuejun; Shen, Jingkang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1437
• a: 27.248 ± 0.004 Å
• b: 5.8241 ± 0.0008 Å
• c: 14.275 ± 0.002 Å
• α: 90°
• β: 94.192 ± 0.003°
• γ: 90°
• Cell volume: 2259.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes