Information card for entry 2016213

Structure parameters

• Common name: cis,cis-cyclohexane-1,3,5-tricarboxamide
• Chemical name: cis,cis-cyclohexane-1,3,5-tricarboxamide
• Formula: C9 H15 N3 O3
• Calculated formula: C9 H15 N3 O3
• SMILES: C(=O)(C1CC(C(=O)N)CC(C(=O)N)C1)N
• Title of publication: Hexagonal packing of <i>cis</i>,<i>cis</i>-cyclohexane-1,3,5-tricarboxamide
• Authors of publication: Binoy K. Saha
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o591 - o593
• a: 12.8094 ± 0.0008 Å
• b: 12.8094 ± 0.0008 Å
• c: 10.7854 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1532.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes