Crystallography Open Database

Information card for entry 1549077

Preview

Coordinates	1549077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Cl N3
Calculated formula	C21 H18 Cl N3
Title of publication	Opposite-charge repulsive cation and anion pair cooperative organocatalysis in ring-opening polymerization
Authors of publication	Xu, Jiaxi; Liu, Jingjing; Li, Zhenjiang; Xu, Songquan; Wang, Haixin; Guo, Tianfo; Gao, Yu; Zhang, Lei; Zhang, Chan; Guo, Kai
Journal of publication	Polymer Chemistry
Year of publication	2018
Journal volume	9
Journal issue	16
Pages of publication	2183
a	13.484 ± 0.0008 Å
b	13.484 ± 0.0008 Å
c	13.484 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2451.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.114
Residual factor for significantly intense reflections	0.1082
Weighted residual factors for significantly intense reflections	0.3079
Weighted residual factors for all reflections included in the refinement	0.3135
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230963 (current)	2019-11-17	cif/ Updating files of 1549077 Original log message: Adding full bibliography for 1549077.cif.	1549077.cif
207000	2018-03-17	cif/ Adding structures of 1549077 via cif-deposit CGI script.	1549077.cif