Information card for entry 1568016

Structure parameters

• Formula: C22.31 H21.62 Cl0.62 N3 O2
• Calculated formula: C22.3114 H21.6228 Cl0.6228 N3 O2
• Title of publication: Photocatalytic enantioselective Minisci reaction of β-carbolines and application to natural product synthesis.
• Authors of publication: Luo, Mu-Peng; Gu, Yi-Jie; Wang, Shou-Guo
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 251 - 256
• a: 14.6467 ± 0.0011 Å
• b: 14.7349 ± 0.0012 Å
• c: 18.2076 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3929.5 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No