Information card for entry 8102323

Structure parameters

• Formula: C24 H23 N O4
• Calculated formula: C24 H23 N O4
• SMILES: Cc1cccc(c1)OC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
• Title of publication: Crystal structure of N-benzyloxycarbonyl-L-phenylalanine 3-methylphenyl ester, C24H23NO4
• Authors of publication: Han-Wen Liu; Dong-Liang Xu; Zi-Long Tang; Liang-Cai Yu; Feng-Jiao Tan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 405
• a: 13.181 ± 0.003 Å
• b: 5.2991 ± 0.0011 Å
• c: 14.829 ± 0.003 Å
• α: 90°
• β: 110.115 ± 0.007°
• γ: 90°
• Cell volume: 972.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No