Crystallography Open Database

Information card for entry 1564812

Preview

Coordinates	1564812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 B F6 P
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 F_obs	No

Version history

Revision	Date	Message	Files
269537 (current)	2021-10-04	cif/ Adding structures of 1564812 via cif-deposit CGI script.	1564812.cif