Information card for entry 2019349

Structure parameters

• Chemical name: t-butylperthiophosphonic anhydride
• Formula: C8 H18 P2 S4
• Calculated formula: C8 H18 P2 S4
• SMILES: C(C)(C)(P1(SP(C(C)(C)C)(S1)=S)=S)C
• Title of publication: A monoclinic polymorph of bis(tert-butylperthiophosphonic) dianhydride
• Authors of publication: Ziemer, Burkhard; Steinberger, Hans-Uwe
• Journal of publication: Acta Crystallographica Section C Crystal Structure Communications
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: e95
• a: 9.7313 ± 0.0008 Å
• b: 9.2898 ± 0.0011 Å
• c: 8.115 ± 0.001 Å
• α: 90°
• β: 104.252 ± 0.008°
• γ: 90°
• Cell volume: 711.03 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No