Information card for entry 1545286

Structure parameters

• Formula: C25 H20 Br N O2
• Calculated formula: C25 H20 Br N O2
• SMILES: Brc1cc2c(n(cc2/C(=C/C(O)C(=O)c2ccccc2)c2ccccc2)C)cc1
• Title of publication: Chiral Calcium Phosphate Catalyzed Asymmetric Alkenylation Reaction of Arylglyoxals with 3-Vinylindoles.
• Authors of publication: Li, Xiao-Yun; Yuan, Wen-Qiang; Tang, Sheng; Huang, Yi-Wei; Xue, Jia-Hui; Fu, Li Na; Guo, Qi-Xiang
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 1120 - 1123
• a: 8.803 ± 0.004 Å
• b: 9.88 ± 0.004 Å
• c: 13.538 ± 0.006 Å
• α: 73.731 ± 0.009°
• β: 73.897 ± 0.011°
• γ: 69.965 ± 0.009°
• Cell volume: 1040.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No