Information card for entry 7244545

Structure parameters

• Formula: C15 H20 O3 S
• Calculated formula: C15 H20 O3 S
• Title of publication: Explorations into the sustainable synthesis of cyclic and polymeric carbonates and thiocarbonates from eugenol-derived monomers and their reactions with CO2, COS, or CS2
• Authors of publication: Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 2535 - 2541
• a: 21.6035 ± 0.0006 Å
• b: 7.9904 ± 0.0002 Å
• c: 16.8357 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2906.19 ± 0.14 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No