Crystallography Open Database

Information card for entry 4120265

4120264 << 4120265 >> 4120266

Preview

Coordinates	4120265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Cl4 N2 O2
Calculated formula	C20 H28 Cl4 N2 O2
SMILES	ClCCl.n1(c2c(cccc2C(C)C)C(C)C)c(CC(=O)[O-])[n+](cc1)C.ClCCl
Title of publication	Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins
Authors of publication	Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	11996 - 12003
a	9.7049 ± 0.0002 Å
b	10.8957 ± 0.0003 Å
c	12.1847 ± 0.0003 Å
α	107.104 ± 0.002°
β	102.097 ± 0.002°
γ	99.967 ± 0.002°
Cell volume	1165.51 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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