Information card for entry 1574934

Structure parameters

• Common name: Methyl 3-[(tert-butoxycarbonyl)amino]benzoate
• Chemical name: Methyl 3-[(tert-butoxycarbonyl)amino]benzoate
• Formula: C13 H17 N O4
• Calculated formula: C13 H17 N O4
• Title of publication: Methyl 3-[(tert-butoxycarbonyl)amino]benzoate
• Authors of publication: Ponmagaram, Murugesan; Saranraj, Krishnan; Raja, Karuppiah Muruga Poopathi
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 6
• Pages of publication: x250542
• a: 10.944 ± 0.003 Å
• b: 11.234 ± 0.003 Å
• c: 11.377 ± 0.003 Å
• α: 90°
• β: 112.481 ± 0.004°
• γ: 90°
• Cell volume: 1292.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No