Information card for entry 1502449

Structure parameters

• Formula: C6 H12 N2 O4 S2
• Calculated formula: C6 H12 N2 O4 S2
• SMILES: N12CCN(CC1)CC2.S(=O)(=O).S(=O)(=O)
• Title of publication: DABCO-bis(sulfur dioxide), DABSO, as a convenient source of sulfur dioxide for organic synthesis: utility in sulfonamide and sulfamide preparation.
• Authors of publication: Woolven, Holly; González-Rodríguez, Carlos; Marco, Isabel; Thompson, Amber L.; Willis, Michael C.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 18
• Pages of publication: 4876 - 4878
• a: 6.6019 ± 0.0001 Å
• b: 7.9218 ± 0.0001 Å
• c: 18.1666 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 950.09 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9777
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No