Information card for entry 7244542

Structure parameters

• Formula: C15 H20 O4
• Calculated formula: C15 H20 O4
• SMILES: O=C(Oc1c(OC)cc(cc1)CC1OC1)C(C)(C)C
• 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: 16.3085 ± 0.0004 Å
• b: 7.9252 ± 0.0002 Å
• c: 21.384 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2763.84 ± 0.12 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No