Information card for entry 7150562

Structure parameters

• Formula: C25 H35 N O3 S
• Calculated formula: C25 H35 N O3 S
• SMILES: [C@H]1([C@@H]([C@H](c2ccccc2)O)N1S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C.[C@@H]1([C@H]([C@@H](c2ccccc2)O)N1S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C
• Title of publication: Lithiation-electrophilic trapping of N-sulfonyl-activated ethylene aziridines
• Authors of publication: Huang, Jianhui; Moore, Stephen P.; O'Brien, Peter; Whitwood, Adrian C.; Gilday, John
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 335 - 345
• a: 10.2117 ± 0.0011 Å
• b: 13.3903 ± 0.0014 Å
• c: 17.8587 ± 0.0019 Å
• α: 90°
• β: 104.642 ± 0.002°
• γ: 90°
• Cell volume: 2362.7 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No