Information card for entry 7216100

Structure parameters

• Formula: C23 H27 N O3
• Calculated formula: C23 H27 N O3
• Title of publication: Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones
• Authors of publication: Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 119
• Pages of publication: 728
• a: 6.1739 ± 0.0008 Å
• b: 7.1907 ± 0.0009 Å
• c: 44.763 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1987.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.1161
• Weighted residual factors for significantly intense reflections: 0.2475
• Weighted residual factors for all reflections included in the refinement: 0.2515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No