Information card for entry 1512559

Structure parameters

• Common name: cyclopentene trithiocarbonate
• Formula: C6 H8 S3
• Calculated formula: C6 H8 S3
• Title of publication: Oxygen/Sulfur Scrambling During the Copolymerization of Cyclopentene Oxide and Carbon Disulfide: Selectivity for Copolymer vs Cyclic [Thio]carbonates
• Authors of publication: Darensbourg, Donald J.; Wilson, Stephanie J.; Yeung, Andrew D.
• Journal of publication: Macromolecules
• Year of publication: 2013
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 8102
• a: 13.053 ± 0.003 Å
• b: 9.571 ± 0.002 Å
• c: 6.0856 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 760.3 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No