Information card for entry 2241093

Structure parameters

• Chemical name: Bis{2-[amino(iminiumyl)methyl]-1,1-dimethylguanidine} carbonate methanol disolvate
• Formula: C11 H32 N10 O5
• Calculated formula: C11 H32 N10 O5
• SMILES: C(=NC(N(C)C)=[NH2+])(N)N.CO.C(=O)([O-])[O-].C(=NC(N(C)C)=[NH2+])(N)N.CO
• Title of publication: Crystal structure of bis{2-[amino(iminiumyl)methyl]-1,1-dimethylguanidine} carbonate methanol disolvate
• Authors of publication: Dong, Jinlong; Liu, Bin; Yang, Binsheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o747 - o748
• a: 13.5726 ± 0.0012 Å
• b: 10.5634 ± 0.0008 Å
• c: 13.9825 ± 0.0013 Å
• α: 90°
• β: 90.386 ± 0.001°
• γ: 90°
• Cell volume: 2004.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1394
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2119
• Weighted residual factors for all reflections included in the refinement: 0.2801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes