Information card for entry 2010749

Structure parameters

• Chemical name: 6-chloro-2,3-dihydro-7-methyl-5-methylene-2H,3H,5H-1,4-dithiepine 1,1,4,4-tetraoxide
• Formula: C7 H9 Cl O4 S2
• Calculated formula: C7 H9 Cl O4 S2
• Title of publication: 7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide and 6-chloro-2,3-dihydro-7-methyl-5-methylene-2<i>H</i>,3<i>H</i>,5<i>H</i>-1,4-dithiepine 1,1,4,4-tetraoxide
• Authors of publication: Brewer, A. David; Ferguson, George; Znotins, Andrew A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: e109 - e110
• a: 8.0689 ± 0.0008 Å
• b: 8.1209 ± 0.001 Å
• c: 9.9329 ± 0.0014 Å
• α: 92.01 ± 0.011°
• β: 110.855 ± 0.011°
• γ: 119.21 ± 0.011°
• Cell volume: 513.19 ± 0.14 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.031
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes