Information card for entry 1555753

Structure parameters

• Formula: C18 H17 Cl N2 O2 S
• Calculated formula: C18 H17 Cl N2 O2 S
• SMILES: Cc1ccc(nc1)S(=O)(=O)NCC(Cl)c1cc2ccccc2cc1
• Title of publication: Functionalization of Alkenes through Telescoped Continuous Flow Aziridination Processes.
• Authors of publication: Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 4908 - 4911
• a: 11.48668 ± 0.00007 Å
• b: 7.37203 ± 0.00006 Å
• c: 20.25344 ± 0.00015 Å
• α: 90°
• β: 106.033 ± 0.0007°
• γ: 90°
• Cell volume: 1648.35 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No