Information card for entry 2217358

Structure parameters

• Common name: Dibenzyl pentathiodicarbonate
• Chemical name: Dibenzyl pentathiodicarbonate
• Formula: C16 H14 S5
• Calculated formula: C16 H14 S5
• SMILES: S(Cc1ccccc1)C(=S)SC(=S)SCc1ccccc1
• Title of publication: Dibenzyl pentathiodicarbonate
• Authors of publication: Weber, Wolfgang G.; McLeary, James B.; Gertenbach, Jan-André; Loots, Leigh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o250 - o250
• a: 8.4085 ± 0.0018 Å
• b: 19.67 ± 0.004 Å
• c: 11.085 ± 0.003 Å
• α: 90°
• β: 111.953 ± 0.004°
• γ: 90°
• Cell volume: 1700.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes