Information card for entry 2201670

Structure parameters

• Formula: C15 H17 B Cl N
• Calculated formula: C15 H17 B Cl N
• SMILES: Cl[B-]1([N+](c2c(C1)cccc2)(C)C)c1ccccc1
• Title of publication: 2-Chloro-1,1-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-1,2-benzazoniaborolate
• Authors of publication: Hong-Bo Tong; Xue-Hong Wei; Shu-Ping Huang; Jian-Feng Li; Dian-Sheng Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1389 - o1391
• a: 7.4639 ± 0.0011 Å
• b: 14.798 ± 0.002 Å
• c: 12.2356 ± 0.0018 Å
• α: 90°
• β: 97.18 ± 0.002°
• γ: 90°
• Cell volume: 1340.8 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes