Information card for entry 2216716

Structure parameters

• Common name: Urea DMF solvate (3/1)
• Chemical name: Urea N,N-dimethylformamide (3/1)
• Formula: C6 H19 N7 O4
• Calculated formula: C6 H19 N7 O4
• SMILES: C(=O)(N)N.C(=O)(N)N.C(=O)(N)N.N(C)(C)C=O
• Title of publication: Urea–<i>N,N</i>-dimethylformamide (3/1)
• Authors of publication: Fernandes, Philippe; Florence, Alastair J.; Fabbiani, Francesca; David, William I. F.; Shankland, Kenneth
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4861 - o4861
• a: 7.5246 ± 0.0013 Å
• b: 9.866 ± 0.004 Å
• c: 10.821 ± 0.004 Å
• α: 65.61 ± 0.04°
• β: 79.43 ± 0.02°
• γ: 70.76 ± 0.02°
• Cell volume: 689.7 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0529
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9752
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes