Information card for entry 4128477

Structure parameters

• Formula: C30 H39 O6 P3
• Calculated formula: C30 H39 O6 P3
• Title of publication: Ring-Opening Polymerization of Cyclic Phosphonates: Access to Inorganic Polymers with a P^V-O Main Chain.
• Authors of publication: Arz, Marius I.; Annibale, Vincent T.; Kelly, Nicole L.; Hanna, John V.; Manners, Ian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 7
• Pages of publication: 2894 - 2899
• a: 12.8407 ± 0.0002 Å
• b: 12.7885 ± 0.0002 Å
• c: 37.8214 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6210.78 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 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: 0.0642
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No