Information card for entry 4128482

Structure parameters

• Formula: C31 H15 B F15 N2 O2 P
• Calculated formula: C31 H15 B F15 N2 O2 P
• SMILES: P(=O)(O[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)([n+]1ccc(N(C)C)cc1)c1ccccc1
• 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: 9.6015 ± 0.0003 Å
• b: 22.5281 ± 0.0007 Å
• c: 14.3198 ± 0.0004 Å
• α: 90°
• β: 94.418 ± 0.002°
• γ: 90°
• Cell volume: 3088.22 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.05 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: 0.098
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No