Information card for entry 4024557

Structure parameters

• Formula: C28 H25 N O2 S2
• Calculated formula: C28 H25 N O2 S2
• SMILES: S(=O)(c1c([C@H]2N(S(=O)c3ccc(cc3)C)[C@H]2c2ccccc2)cccc1)c1ccc(cc1)C
• Title of publication: Stereoselective Control of Planar α-Dimethylsulfonium Benzyl Carbanions. Synthesis of Optically Pure trans-Aziridines
• Authors of publication: Yolanda Arroyo; Ángela Meana; J. Félix Rodríguez; M. Ascensión Sanz-Tejedor; Inés Alonso; José L. García Ruano
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 4217 - 4224
• a: 10.761 ± 0.004 Å
• b: 9.713 ± 0.003 Å
• c: 12.308 ± 0.004 Å
• α: 90°
• β: 103.209 ± 0.005°
• γ: 90°
• Cell volume: 1252.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No