Information card for entry 1506236

Structure parameters

• Chemical name: N-((Z)-1-((2R,3S)-3-hydroxy-3-methyl-2- phenylcyclohexylidene)ethyl)pivalamide
• Formula: C20 H29 N O2
• Calculated formula: C20 H29 N O2
• Title of publication: Oxonitriles: a grignard addition-acylation route to enamides.
• Authors of publication: Fleming, Fraser F.; Wei, Guoqing; Zhang, Zhiyu; Steward, Omar W.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 4903 - 4906
• a: 12.7515 ± 0.0003 Å
• b: 15.6796 ± 0.0003 Å
• c: 19.48 ± 0.0004 Å
• α: 90°
• β: 104.275 ± 0.001°
• γ: 90°
• Cell volume: 3774.54 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No