Information card for entry 2234430

Structure parameters

• Chemical name: 3-Oxapentane-1,5-diyl dicarbamate
• Formula: C6 H12 N2 O5
• Calculated formula: C6 H12 N2 O5
• SMILES: NC(=O)OCCOCCOC(=O)N
• Title of publication: 3-Oxapentane-1,5-diyl dicarbamate
• Authors of publication: Li, Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1171
• a: 14.263 ± 0.004 Å
• b: 5.1412 ± 0.0015 Å
• c: 12.276 ± 0.004 Å
• α: 90°
• β: 99.393 ± 0.005°
• γ: 90°
• Cell volume: 888.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes