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Information card for entry 1564812
Preview
Coordinates | 1564812.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H36 B F6 P |
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Calculated formula | C30 H36 B F6 P |
SMILES | [P](CC(C)C)(CC(C)C)(CC(C)C)[B](c1c(F)cc(F)cc1)(c1c(F)cc(F)cc1)c1c(F)cc(F)cc1 |
Title of publication | Tris(2,4-difluorophenyl)borane/Triisobutylphosphine Lewis Pair: A Thermostable and Air/Moisture-Tolerant Organic Catalyst for the Living Polymerization of Acrylates |
Authors of publication | Zhang, Zhen-Hua; Wang, Xing; Wang, Xiao-Jun; Li, Yuesheng; Hong, Miao |
Journal of publication | Macromolecules |
Year of publication | 2021 |
Journal volume | 54 |
Journal issue | 18 |
Pages of publication | 8495 - 8502 |
a | 8.6365 ± 0.0009 Å |
b | 19.96 ± 0.002 Å |
c | 16.4399 ± 0.0017 Å |
α | 90° |
β | 96.579 ± 0.004° |
γ | 90° |
Cell volume | 2815.3 ± 0.5 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 169.99 K |
Number of distinct elements | 5 |
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 | 0.0368 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0962 |
Weighted residual factors for all reflections included in the refinement | 0.097 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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269537 (current) | 2021-10-04 | cif/ Adding structures of 1564812 via cif-deposit CGI script. |
1564812.cif |
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