Crystallography Open Database

Information card for entry 7113015

Preview

Coordinates	7113015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H33 Br Cl N2 O4.5 S
Calculated formula	C34 H33 Br Cl N2 O4.5 S
Title of publication	Silver triflate and N-heterocyclic carbene co-catalyzed reaction of N'-(2-alkynylbenzylidene)hydrazide, methanol with alpha,beta-unsaturated aldehyde.
Authors of publication	Chen, Zhiyuan; Yu, Xingxin; Wu, Jie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	34
Pages of publication	6356 - 6358
a	12.3918 ± 0.0015 Å
b	12.6265 ± 0.0016 Å
c	12.6305 ± 0.0015 Å
α	109.666 ± 0.002°
β	107.568 ± 0.002°
γ	105.852 ± 0.002°
Cell volume	1612.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1075
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.2185
Weighted residual factors for all reflections included in the refinement	0.2363
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113015.cif
112204	2014-04-30	cif/ Adding structures of 7113015 via cif-deposit CGI script.	7113015.cif