Information card for entry 7109308

Structure parameters

• Formula: C30 H27 Br N2 O3 S
• Calculated formula: C30 H27 Br N2 O3 S
• SMILES: Brc1ccc([C@@H]2N(OCC\2=C\N(S(=O)(=O)c2ccc(cc2)C)Cc2ccccc2)c2ccccc2)cc1
• Title of publication: Gold catalyzed enantioselective intermolecular [3+2] dipolar cycloaddition of N-allenyl amides with nitrones
• Authors of publication: Guo-Hua Li; Wen Zhou; Xiao-Xiao Li; Qing-Wei Bi; Zhen Wang; Zhi-Gang Zhao; Wen-Xiang Hu; Zili Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4770
• a: 18.063 ± 0.003 Å
• b: 20.802 ± 0.004 Å
• c: 7.1849 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2699.7 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No