Information card for entry 8105733

Structure parameters

• Formula: C26 H29 N O2
• Calculated formula: C26 H29 N O2
• Title of publication: Crystal structure of N-((3s,5s,7s)-adamantan-1-yl)-2-(3-benzoylphenyl)propanamide, C26H29NO2
• Authors of publication: Gao, Li-Na; Gu, Ye; Jin, Feng; Hao, Duo; Zhang, Xin-Ru
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 497 - 499
• a: 10.849 ± 0.0008 Å
• b: 13.2892 ± 0.0009 Å
• c: 14.7199 ± 0.001 Å
• α: 89.161 ± 0.003°
• β: 79.991 ± 0.002°
• γ: 85.746 ± 0.002°
• Cell volume: 2084.2 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.145
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No