Information card for entry 2004318

Structure parameters

• Chemical name: cis-5-Azido-N,N-diphenylcarbamoyl proline methyl ester
• Formula: C19 H19 N5 O3
• Calculated formula: C19 H19 N5 O3
• Title of publication: Novel 2- and 5-Azido-<i>N</i>-(diphenylcarbamoyl)proline Methyl Esters. Examples of a Novel Proline Oxidation
• Authors of publication: Lynch, V. M.; Hulme, C.; Magnus, P.; Davis, B. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2598 - 2601
• a: 8.379 ± 0.003 Å
• b: 13.183 ± 0.008 Å
• c: 16.294 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1799.8 ± 1.5 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0411
• Goodness-of-fit parameter for significantly intense reflections: 1.285
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No