Information card for entry 4128475

Structure parameters

• Formula: C9 H13 O3 P
• Calculated formula: C9 H13 O3 P
• 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: 7.9568 ± 0.0003 Å
• b: 7.0412 ± 0.0003 Å
• c: 8.3981 ± 0.0003 Å
• α: 90°
• β: 98.998 ± 0.002°
• γ: 90°
• Cell volume: 464.72 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No