Information card for entry 1507378

Structure parameters

• Formula: C22 H24 N2 O4 S2
• Calculated formula: C22 H24 N2 O4 S2
• SMILES: S(=O)(=O)(N(c1c(N(S(=O)(=O)c2ccc(cc2)C)C)cccc1)C)c1ccc(cc1)C
• Title of publication: Absolute helical arrangement of sulfonamide in the crystal.
• Authors of publication: Azumaya, Isao; Kato, Takako; Okamoto, Iwao; Yamasaki, Ryu; Tanatani, Aya; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Takayanagi, Hiroaki
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 21
• Pages of publication: 3939 - 3942
• a: 11.994 ± 0.003 Å
• b: 11.904 ± 0.003 Å
• c: 15.388 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2197 ± 0.9 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.403
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No