Crystallography Open Database

Information card for entry 1557270

Preview

Coordinates	1557270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H30 Cl2 Co N3 O3 P
Calculated formula	C17 H30 Cl2 Co N3 O3 P
SMILES	[Co]1(Cl)(Cl)([OH]C)[n]2c(NP(=O)(C(C)(C)C)C(C)(C)C)cccc2C2OCC[N]1=2
Title of publication	Synthesis and properties investigation of hydroxyl functionalized polyisoprene prepared by cobalt catalyzed co-polymerization of isoprene and hydroxylmyrcene
Authors of publication	Xu, Yuechao; Zhao, Junyi; Gan, Qiao; Ying, Weilun; Hu, Zhonghan; Tang, Fuming; Luo, Wanwei; Luo, Yunjie; Jian, Zhongbao; Gong, Dirong
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	12
Pages of publication	2034 - 2043
a	16.5582 ± 0.0003 Å
b	8.7009 ± 0.0001 Å
c	16.729 ± 0.0003 Å
α	90°
β	111.858 ± 0.002°
γ	90°
Cell volume	2236.9 ± 0.07 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.0438
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257954 (current)	2020-10-06	cif/ Updating files of 1557270 Original log message: Adding full bibliography for 1557270.cif.	1557270.cif
250380	2020-04-05	cif/ Updating files of 1557270 Original log message: Adding full bibliography for 1557270.cif.	1557270.cif
247975	2020-02-08	cif/ Adding structures of 1557270 via cif-deposit CGI script.	1557270.cif