Information card for entry 2009693

Structure parameters

• Chemical name: 2-Diethoxyphosphoryl-5,6-dihydro-1,3-dithiolo[4,5-b][1,4]dithiin
• Formula: C9 H15 O3 P S4
• Calculated formula: C9 H15 O3 P S4
• Title of publication: Diethyl 5,6-dihydro-2<i>H</i>-1,3-dithiolo[4,5-<i>b</i>][1,4]dithiin-2-ylphosphonate, C~9~H~15~O~3~PS~4~
• Authors of publication: Kelkar, Shripad V.; Kilburn, Jeremy D.; Webster, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 724 - 726
• a: 16.197 ± 0.006 Å
• b: 9.141 ± 0.002 Å
• c: 19.54 ± 0.001 Å
• α: 90°
• β: 99.28 ± 0.01°
• γ: 90°
• Cell volume: 2855.2 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0367
• Goodness-of-fit parameter for significantly intense reflections: 0.31
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No