Crystallography Open Database

Information card for entry 1502655

Preview

Coordinates	1502655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14.5 H16 Cl2 N4 O3
Calculated formula	C14.5 H16 Cl2 N4 O3
Title of publication	Divalent and oxabridged neonicotinoids constructed by dialdehydes and nitromethylene analogues of imidacloprid: design, synthesis, crystal structure, and insecticidal activities.
Authors of publication	Shao, Xusheng; Fu, Hua; Xu, Xiaoyong; Xu, Xinglei; Liu, Zewen; Li, Zhong; Qian, Xuhong
Journal of publication	Journal of agricultural and food chemistry
Year of publication	2010
Journal volume	58
Journal issue	5
Pages of publication	2696 - 2702
a	22.13 ± 0.004 Å
b	9.2835 ± 0.0018 Å
c	15.475 ± 0.003 Å
α	90°
β	92.678 ± 0.004°
γ	90°
Cell volume	3175.8 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1271
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.167
Weighted residual factors for all reflections included in the refinement	0.199
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1502655.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502655.cif
36608	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502655 via cif-deposit CGI script.	1502655.cif