Information card for entry 2008337

Structure parameters

• Chemical name: N,N-Bis(p-nitrophenylsulfonyl)cyclohexylamine
• Formula: C18 H19 N3 O8 S2
• Calculated formula: C18 H19 N3 O8 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1ccc(N(=O)=O)cc1)C1CCCCC1)c1ccc(N(=O)=O)cc1
• Title of publication: <i>N</i>,<i>N</i>-Bis(<i>p</i>-nitrophenylsulfonyl)cyclohexylamine
• Authors of publication: Brunzelle, Joseph S.; Curtis-Palmer, Veronica A.; Pavkovic, Stephen F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 624 - 626
• a: 15.64 ± 0.004 Å
• b: 22.765 ± 0.006 Å
• c: 5.681 ± 0.001 Å
• α: 90°
• β: 92.663 ± 0.005°
• γ: 90°
• Cell volume: 2020.5 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.0969
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No