Information card for entry 4513907

Structure parameters

• Formula: C16 H30 Ca O12
• Calculated formula: C16 H30 Ca O12
• Title of publication: Solvothermal Alcoholysis Routes for Recycling Polylactide Waste as Lactic Acid Esters
• Authors of publication: Petrus, Rafał; Bykowski, Dominik; Sobota, Piotr
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 5222
• a: 19.697 ± 0.003 Å
• b: 5.855 ± 0.002 Å
• c: 9.532 ± 0.003 Å
• α: 90°
• β: 95.8 ± 0.02°
• γ: 90°
• Cell volume: 1093.7 ± 0.5 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1457
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No