Information card for entry 4116525

Structure parameters

• Formula: C19 H18 O
• Calculated formula: C19 H18 O
• Title of publication: Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction
• Authors of publication: Kazumasa Honda; Fusae Nakanishi; Neil Feeder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 8246 - 8250
• a: 31.317 ± 0.002 Å
• b: 10.7471 ± 0.0007 Å
• c: 8.66 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2914.7 ± 0.7 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2061
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No