Information card for entry 1555114

Structure parameters

• Formula: C18 H23 N O5 S
• Calculated formula: C18 H23 N O5 S
• Title of publication: Generation and Ring Opening of Aziridines in Telescoped Continuous Flow Processes.
• Authors of publication: Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3632 - 3635
• a: 8.6291 ± 0.0003 Å
• b: 9.4332 ± 0.0003 Å
• c: 12.4474 ± 0.0004 Å
• α: 82.659 ± 0.003°
• β: 70.506 ± 0.003°
• γ: 68.236 ± 0.003°
• Cell volume: 887.04 ± 0.06 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No