Information card for entry 4128479

Structure parameters

• Formula: C36 H51 O6 P3
• Calculated formula: C36 H51 O6 P3
• SMILES: P1(=O)(OP(=O)(OP(=O)(O1)c1c(cc(cc1C)C(C)(C)C)C)c1c(cc(cc1C)C(C)(C)C)C)c1c(cc(cc1C)C(C)(C)C)C
• 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: 11.054 ± 0.0002 Å
• b: 24.398 ± 0.0004 Å
• c: 13.4029 ± 0.0002 Å
• α: 90°
• β: 97.424 ± 0.001°
• γ: 90°
• Cell volume: 3584.4 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No