Information card for entry 7203499

Structure parameters

• Formula: C23 H31 N O3
• Calculated formula: C23 H31 N O3
• Title of publication: Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal
• Authors of publication: Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 616
• a: 6.1644 ± 0.0009 Å
• b: 17.546 ± 0.003 Å
• c: 19.52 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2111.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1373
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.2748
• Weighted residual factors for all reflections included in the refinement: 0.3017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No