Information card for entry 7244106

Structure parameters

• Formula: C20 H21 B Cl N3 O2
• Calculated formula: C20 H21 B Cl N3 O2
• SMILES: Clc1cccc(C(=C\c2nccc(c2)C)\C(=O)O[BH2]=C2N(C=CN2C)C)c1
• Title of publication: Photoinduced successive oxidative ring-opening and borylation of indolizines with NHC-boranes.
• Authors of publication: Zheng, Huitao; Xiong, Honggang; Su, Chaobo; Cao, Hua; Yao, Huagang; Liu, Xiang
• Journal of publication: RSC advances
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 470 - 474
• a: 13.0381 ± 0.0003 Å
• b: 20.5925 ± 0.0007 Å
• c: 7.15692 ± 0.00019 Å
• α: 90°
• β: 91.598 ± 0.003°
• γ: 90°
• Cell volume: 1920.79 ± 0.09 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No