Information card for entry 2006221

Structure parameters

• Chemical name: Oxalyl chloride dimesylamide
• Formula: C4 H6 Cl N O6 S2
• Calculated formula: C4 H6 Cl N O6 S2
• SMILES: N(S(=O)(=O)C)(S(=O)(=O)C)C(=O)C(=O)Cl
• Title of publication: Polysulfonylamines. LXXXII. Oxalyl Chloride Dimesylamide
• Authors of publication: Dalluhn, Jörg; Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 781 - 783
• a: 8.939 ± 0.002 Å
• b: 9.36 ± 0.002 Å
• c: 11.438 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 957 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for all reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.0526
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No