Information card for entry 1572157

Structure parameters

• Formula: C49 H69 Ca2 Cl4 I2 N8 O4
• Calculated formula: C49 H69 Ca2 Cl4 I2 N8 O4
• Title of publication: Calcium-catalysed ring-opening copolymerisation of epoxides and cyclic anhydrides
• Authors of publication: Francés-Poveda, Enrique; Martínez de Sarasa Buchaca, Marc; Moya-López, Carmen; Vitorica-Yrezabal, Iñigo J.; López-Solera, Isabel; Castro-Osma, José A.; la Cruz-Martínez, Felipe de; Lara-Sánchez, Agustín
• Journal of publication: Polymer Chemistry
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 32
• Pages of publication: 3238 - 3245
• a: 12.835 ± 0.002 Å
• b: 17.351 ± 0.003 Å
• c: 26.132 ± 0.005 Å
• α: 90°
• β: 95.473 ± 0.006°
• γ: 90°
• Cell volume: 5793.1 ± 1.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1283
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.278
• Weighted residual factors for all reflections included in the refinement: 0.2911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No