Information card for entry 4029254

Structure parameters

• Formula: C30 H35 N O2
• Calculated formula: C30 H35 N O2
• Title of publication: Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.
• Authors of publication: Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 7
• Pages of publication: 3088 - 3093
• a: 9.34 ± 0.003 Å
• b: 11.0137 ± 0.001 Å
• c: 25.4582 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2618.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No