Information card for entry 8101925

Structure parameters

• Chemical name: N-(diphenyl)methyl-3(S)-[1'(R)-hydroxoethyl]-4(S)-[2",2"-dimethyl-1"- oxopropyl]-2-azetidinone
• Formula: C23 H27 N O3
• Calculated formula: C23 H27 N O3
• SMILES: N1(C(=O)[C@@H]([C@H]1C(=O)C(C)(C)C)[C@H](O)C)C(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of N-(diphenyl)methyl-3(S)-[1'(R)-hydroxoethyl]- 4(S)-[2'',2''-dimethyl-1''-oxopropyl]-2-azetidinone, 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: 71 - 72
• a: 6.054 ± 0.002 Å
• b: 11.479 ± 0.005 Å
• c: 29.21 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2029.9 ± 1.1 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No