Information card for entry 1571267

Structure parameters

• Chemical name: Methyl <i>N</i>-{(1<i>R</i>)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate
• Formula: C12 H15 N O5
• Calculated formula: C12 H15 N O5
• Title of publication: Methyl N-{(1R)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate
• Authors of publication: Mendoza Herrera, María del Consuelo; Sampedro Cruz, Mario; Pérez Díaz, Lydia María; Rivera Márquez, José Antonio; Orea Flores, Laura; Bernès, Sylvain
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 3
• a: 6.2497 ± 0.0002 Å
• b: 13.8633 ± 0.0006 Å
• c: 14.6254 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1267.17 ± 0.08 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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: 0.0667
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No