Information card for entry 1517508

Structure parameters

• Formula: C24 H28 N2 O4 S2
• Calculated formula: C24 H28 N2 O4 S2
• SMILES: N1(CC=CC[C@H]1[C@@H]1CC=CCN1S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.
• Authors of publication: Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 4344 - 4347
• a: 24.6086 ± 0.0007 Å
• b: 7.9486 ± 0.0001 Å
• c: 15.1824 ± 0.0004 Å
• α: 90°
• β: 127.722 ± 0.001°
• γ: 90°
• Cell volume: 2349.02 ± 0.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No