Information card for entry 7156335

Structure parameters

• Formula: C18 H21 N O4 S
• Calculated formula: C18 H21 N O4 S
• Title of publication: Phenolate-induced intramolecular ring-opening cyclization of N-tosylaziridines: access to functionalized benzoxacycles.
• Authors of publication: Devi, Runjun; Das, Jonali; Sarma, Bipul; Das, Sajal Kumar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 5846 - 5858
• a: 19.409 ± 0.011 Å
• b: 22.804 ± 0.014 Å
• c: 7.899 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3496 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.2092
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No