Information card for entry 1519513

Structure parameters

• Formula: C14 H24 N3 O5
• Calculated formula: C14 H24 N3 O5
• SMILES: N1(C(CO)CN/C1=N\C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Title of publication: t-Butyl-2-(t-butoxycarbonyl)imino-4-hydroxymethyl-4,5-dihydro-3H-imidazole- 3-carboxylate
• Authors of publication: Horton, Peter N.; Hursthouse, Michael B.; Winters, A. L.; Nash, R.; Thornhill, A. J.; Hall, L. M.; Dennis, M.; Murphy, P. J.; Light, Mark E.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 36
• a: 19.38 ± 0.002 Å
• b: 13.2761 ± 0.0011 Å
• c: 13.0097 ± 0.0011 Å
• α: 90°
• β: 91.6 ± 0.003°
• γ: 90°
• Cell volume: 3346 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1774
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2158
• Weighted residual factors for all reflections included in the refinement: 0.2612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No