Information card for entry 8101924

Structure parameters

• Chemical name: N-(diphenyl)methyl-N-(3',3'-dimethyl-2'-oxo)butyl-2(R),3(R)-epoxybutyramide
• Formula: C23 H27 N O3
• Calculated formula: C23 H27 N O3
• SMILES: O1[C@H]([C@H]1C)C(=O)N(CC(=O)C(C)(C)C)C(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of N-(diphenyl)methyl-N-(3',3'-dimethyl-2'-oxo)butyl- 2(R),3(R)-epoxybutyramide, C~23~H~27~NO~3~
• Authors of publication: Tinant, B.; Laurent, M.; Marchand-Brynaert, J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 68 - 70
• a: 8.669 ± 0.003 Å
• b: 22.88 ± 0.005 Å
• c: 10.22 ± 0.003 Å
• α: 90°
• β: 96.04 ± 0.02°
• γ: 90°
• Cell volume: 2015.9 ± 1 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No