Information card for entry 4519105

Structure parameters

• Formula: C11 H30 Ca Cl2 N2 O8
• Calculated formula: C11 H30 Ca Cl2 N2 O8
• Title of publication: Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI₂/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.
• Authors of publication: Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit
• Journal of publication: ACS omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 41
• Pages of publication: 27279 - 27287
• a: 15.779 ± 0.002 Å
• b: 8.8435 ± 0.001 Å
• c: 13.4059 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1870.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1065
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No