Information card for entry 1553445

Structure parameters

• Formula: C23 H20 Br2 N2 O2
• Calculated formula: C23 H20 Br2 N2 O2
• SMILES: Brc1cccc2n(cc(c12)[C@@H]1C(=C\N2CCOC2=O)/C[C@H]1c1ccc(Br)cc1)C.Brc1cccc2n(cc(c12)[C@H]1C(=C\N2CCOC2=O)/C[C@@H]1c1ccc(Br)cc1)C
• Title of publication: Enantioselective gold-catalyzed intermolecular [2 + 2]-cycloadditions of 3-styrylindoles with N-allenyl oxazolidinone
• Authors of publication: Hu, Haoxiang; Wang, Yidong; Qian, Deyun; Zhang, Zhan-Ming; Liu, Lu; Zhang, Junliang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 759
• a: 13.4028 ± 0.0008 Å
• b: 11.2931 ± 0.0006 Å
• c: 14.0439 ± 0.0008 Å
• α: 90°
• β: 91.99 ± 0.002°
• γ: 90°
• Cell volume: 2124.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No