Information card for entry 2017381

Structure parameters

• Chemical name: Cyclohexanecarboxamide
• Formula: C7 H13 N O
• Calculated formula: C7 H13 N O
• SMILES: C(=O)(C1CCCCC1)N
• Title of publication: Cyclohexanecarboxamide
• Authors of publication: Zipp, Caitlin F.; Fernandes, Manuel A.; Michael, Joseph P.; Winks, Susan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o553 - o554
• a: 24.624 ± 0.003 Å
• b: 6.6934 ± 0.0009 Å
• c: 9.403 ± 0.0013 Å
• α: 90°
• β: 102.088 ± 0.003°
• γ: 90°
• Cell volume: 1515.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes