Crystallography Open Database

Information card for entry 1563691

Preview

Coordinates	1563691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H84 Al N2 O4 P
Calculated formula	C51 H84 Al N2 O4 P
SMILES	[Al](OC(=C(\CP(=Nc1cc[n+](cc1)CC)(C(C)(C)C)C(C)(C)C)C)\OC)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)C
Title of publication	Controlled and efficient polymerization of methyl methacrylate catalyzed by pyridinylidenaminophosphine based Lewis pairs
Authors of publication	Ge, Fang; Li, Sun; Wang, Zhe; Zhang, Wenzhong; Wang, Xiaowu
Journal of publication	Polymer Chemistry
Year of publication	2021
Journal volume	12
Journal issue	29
Pages of publication	4226 - 4234
a	23.69 ± 0.002 Å
b	12.7455 ± 0.0011 Å
c	23.188 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7001.4 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1243
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
268961 (current)	2021-09-06	cif/ Updating files of 1563691, 1563692 Original log message: Adding full bibliography for 1563691--1563692.cif.	1563691.cif
266673	2021-06-25	cif/ Adding structures of 1563691, 1563692 via cif-deposit CGI script.	1563691.cif