Information card for entry 2227397

Structure parameters

• Chemical name: 4-Isopropyl-<i>N</i>-phenylcyclohexa-1,3-diene-1-carboxamide
• Formula: C16 H19 N O
• Calculated formula: C16 H19 N O
• SMILES: N(C(=O)C1=CC=C(C(C)C)CC1)c1ccccc1
• Title of publication: 4-Isopropyl-<i>N</i>-phenylcyclohexa-1,3-diene-1-carboxamide
• Authors of publication: Gao, Yan-qing; Shang, Shi-bin; Li, Jian; Xu, Xu; Rao, Xiao-ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2490
• a: 5.226 ± 0.001 Å
• b: 9.783 ± 0.002 Å
• c: 13.81 ± 0.003 Å
• α: 88.31 ± 0.03°
• β: 88.01 ± 0.03°
• γ: 76.13 ± 0.02°
• Cell volume: 684.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0726
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes