Information card for entry 7153988

Structure parameters

• Formula: C24 H24 Br N3 O6 S2
• Calculated formula: C24 H24 Br N3 O6 S2
• Title of publication: Diastereoselective synthesis of functionalized pyrrolidines through N-bromosuccinimide-induced aziridine ring expansion cascade of cinnamylaziridine.
• Authors of publication: Zhou, Jing; Yeung, Ying-Yeung
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 38
• Pages of publication: 7482 - 7485
• a: 14.4314 ± 0.0017 Å
• b: 8.8602 ± 0.001 Å
• c: 19.841 ± 0.002 Å
• α: 90°
• β: 100.647 ± 0.002°
• γ: 90°
• Cell volume: 2493.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1134
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No