Information card for entry 2010865

Structure parameters

• Chemical name: Cyclohex-1-enecarboxylic acid benzyl-(2-methoxy-phenyl)-amide
• Formula: C21 H23 N O2
• Calculated formula: C21 H23 N O2
• SMILES: O=C(N(Cc1ccccc1)c1ccccc1OC)C1=CCCCC1
• Title of publication: <i>N</i>-Benzyl-<i>N</i>-(2-methoxyphenyl)cyclohex-1-enecarboxamide
• Authors of publication: Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: e151 - e151
• a: 10.485 ± 0.003 Å
• b: 8.179 ± 0.001 Å
• c: 20.985 ± 0.001 Å
• α: 90°
• β: 100.98 ± 0.01°
• γ: 90°
• Cell volume: 1766.7 ± 0.6 ų
• Cell temperature: 248 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes