Information card for entry 7113059

Structure parameters

• Formula: C24 H23 Br N2 O6
• Calculated formula: C24 H23 Br N2 O6
• SMILES: Brc1ccc2OC[C@H]3[C@@H]([C@@]4(N(C(=O)N(C4=O)c4ccc(OC)cc4)[C@H]3c2c1)C)C(=O)OCC.Brc1ccc2OC[C@@H]3[C@H]([C@]4(N(C(=O)N(C4=O)c4ccc(OC)cc4)[C@@H]3c2c1)C)C(=O)OCC
• Title of publication: Fluorous diastereomeric mixture synthesis (FDMS) of hydantoin-fused hexahydrochromeno[4,3-b]pyrroles.
• Authors of publication: Lu, Yimin; Geib, Steven J.; Damodaran, Krishnan; Sui, Bin; Zhang, Zijuan; Curran, Dennis P.; Zhang, Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 40
• Pages of publication: 7578 - 7580
• a: 13.396 ± 0.002 Å
• b: 6.8114 ± 0.0012 Å
• c: 24.048 ± 0.004 Å
• α: 90°
• β: 90.825 ± 0.004°
• γ: 90°
• Cell volume: 2194 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No