Information card for entry 2239058

Structure parameters

• Common name: N-Tris-2-phenylaziridine
• Chemical name: <i>rac</i>-2-Phenyl-1-[(2,4,6-triisopropylbenzene)sulfonyl]aziridine
• Formula: C23 H31 N O2 S
• Calculated formula: C23 H31 N O2 S
• SMILES: S(=O)(=O)(N1CC1c1ccccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: <i>rac</i>-2-Phenyl-1-[(2,4,6-triisopropylbenzene)sulfonyl]aziridine
• Authors of publication: Golz, Christopher; Preut, Hans; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o153
• a: 6.3037 ± 0.0003 Å
• b: 9.6995 ± 0.0005 Å
• c: 18.6675 ± 0.0009 Å
• α: 75.28 ± 0.004°
• β: 86.842 ± 0.004°
• γ: 84.404 ± 0.004°
• Cell volume: 1098.11 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes