Information card for entry 1506235

Structure parameters

• Chemical name: N-((Z)-1-((2R,3S)-3-hydroxy-3-methyl-2- phenylcyclohexylidene)(phenyl)methyl)valamide
• Formula: C25 H31 N O2
• Calculated formula: C25 H31 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: 10.1 ± 0.0001 Å
• b: 17.0482 ± 0.0002 Å
• c: 20.4921 ± 0.0002 Å
• α: 102.669 ± 0.001°
• β: 96.006 ± 0.001°
• γ: 106.526 ± 0.001°
• Cell volume: 3247.31 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No