Information card for entry 1519866

Structure parameters

• Formula: C14 H25 N3 O5
• Calculated formula: C14 H25 N3 O5
• SMILES: C(C)(C)(C)OC(=O)/N=C1\NCC(COC(=O)OC(C)(C)C)N1
• Title of publication: {(2E,4R)-2-[(tert-butoxycarbonyl)imino]imidazolidin-4-yl}methyl tert-butyl carbonate
• Authors of publication: Murphy, P J.; Stephenson, Richard; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 259
• a: 9.0231 ± 0.0006 Å
• b: 9.1863 ± 0.0006 Å
• c: 12.5757 ± 0.0009 Å
• α: 106.174 ± 0.004°
• β: 97.221 ± 0.004°
• γ: 110.245 ± 0.004°
• Cell volume: 910.31 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1405
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No