Crystallography Open Database

Information card for entry 4349588

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Coordinates	4349588.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cyq1
Formula	C32 H37 K O8
Calculated formula	C32 H37 K O8
SMILES	c1([O-])ccc2ccccc2c1c1c(ccc2ccccc12)O.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
Title of publication	Isoselective mechanism of the ring-opening polymerization of rac-lactide catalyzed by chiral potassium binolates
Authors of publication	Cui, Yaqin; Chen, Changjuan; Sun, Yangyang; Wu, Jincai; Pan, Xiaobo
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	2
Pages of publication	261
a	8.1133 ± 0.0004 Å
b	18.7948 ± 0.001 Å
c	19.0856 ± 0.001 Å
α	90°
β	98.877 ± 0.005°
γ	90°
Cell volume	2875.5 ± 0.3 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
234901 (current)	2019-11-23	cif/ Adding structures of 4349588, 4349589 via cif-deposit CGI script.	4349588.cif