Crystallography Open Database

Information card for entry 1571458

Preview

Coordinates	1571458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 N7 P S2
Calculated formula	C36 H50 N7 P S2
SMILES	[P+](N=C(N=C1N(C(=C(N1C(C)C)C)C)C(C)C)N=C1N(C(=C(N1C(C)C)C)C)C(C)C)(c1ccccc1)(c1ccccc1)C(=S)[S-]
Title of publication	N,N′-Bis(imidazolyl)guanidinylphosphines: powerful initiators for conjugate-addition polymerization of Michael-type monomers
Authors of publication	Wen, Lang-Qi; Chen, Wei; Ren, Wei-Min; Lu, Xiao-Bing; Zhou, Hui
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	18
Pages of publication	1877 - 1883
a	11.3245 ± 0.0015 Å
b	18.881 ± 0.003 Å
c	17.927 ± 0.002 Å
α	90°
β	98.208 ± 0.004°
γ	90°
Cell volume	3793.8 ± 0.9 Å³
Cell temperature	272 K
Ambient diffraction temperature	272 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	0.1229
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293295 (current)	2024-07-05	cif/ Updating files of 1571457, 1571458 Original log message: Adding full bibliography for 1571457--1571458.cif.	1571458.cif
291247	2024-04-17	cif/ Adding structures of 1571457, 1571458 via cif-deposit CGI script.	1571458.cif