Information card for entry 4037159

Structure parameters

• Formula: C19 H24 Br N O4
• Calculated formula: C19 H24 Br N O4
• SMILES: Brc1ccc(C(=O)O[C@@H]2[C@@H](OC(=O)N3CCCCC3)CCCC2)cc1
• Title of publication: CO₂-Mediated Formation of Chiral Carbamates from meso-Epoxides via Polycarbonate Intermediates.
• Authors of publication: Liu, Ye; Ren, Wei-Min; He, Ke-Ke; Zhang, Wen-Zhen; Li, Wen-Bing; Wang, Meng; Lu, Xiao-Bing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 19
• Pages of publication: 8959 - 8966
• a: 9.586 ± 0.004 Å
• b: 10.266 ± 0.004 Å
• c: 19.842 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1952.6 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0984
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No