Information card for entry 2235651

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Dicyclohexylcyclohexanecarboxamide
• Formula: C19 H33 N O
• Calculated formula: C19 H33 N O
• SMILES: N(C(=O)C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: <i>N</i>,<i>N</i>-Dicyclohexylcyclohexanecarboxamide
• Authors of publication: Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Jasinski, Jerry P.; Keeley, Amanda C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2215
• a: 9.8237 ± 0.0003 Å
• b: 16.8736 ± 0.0005 Å
• c: 10.8886 ± 0.0003 Å
• α: 90°
• β: 102.89 ± 0.003°
• γ: 90°
• Cell volume: 1759.42 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes