Information card for entry 4115935

Structure parameters

• Formula: C45 H47 N O5
• Calculated formula: C45 H47 N O5
• Title of publication: The First in Situ Observation of Intramolecular Rotation and Cyclization of Anilide by an X-ray Study: Partial Single-Crystal to Single-Crystal Photocyclization of N-Methyl-N-{(E)-methylmethacryloyl}anilide in Inclusion Crystals
• Authors of publication: Hiroyuki Hosomi; Shigeru Ohba; Koichi Tanaka; Fumio Toda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 1818 - 1819
• a: 10.224 ± 0.002 Å
• b: 10.476 ± 0.003 Å
• c: 10.024 ± 0.003 Å
• α: 116.84 ± 0.02°
• β: 93.15 ± 0.02°
• γ: 83.69 ± 0.02°
• Cell volume: 952.2 ± 0.5 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No