Information card for entry 7114943

Structure parameters

• Formula: C22 H27 N O2 S
• Calculated formula: C22 H27 N O2 S
• Title of publication: 2-Phenyl-N-tosylazetidine as a formal 1,4 dipole precursor
• Authors of publication: Ungureanu, Ioana; Klotz, Philippe; Schoenfelder, Angèle; Mann, André
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 11
• Pages of publication: 958
• a: 9.4881 ± 0.0003 Å
• b: 18.6503 ± 0.0008 Å
• c: 11.1767 ± 0.0005 Å
• α: 90°
• β: 101.626 ± 0.008°
• γ: 90°
• Cell volume: 1937.21 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.104
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections: 2.291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No