Crystallography Open Database

Information card for entry 7153910

Preview

Coordinates	7153910.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H36 Br2 Cl2 N8 O4
Calculated formula	C41 H36 Br2 Cl2 N8 O4
Title of publication	A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.
Authors of publication	Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	34
Pages of publication	6598 - 6609
a	19.6382 ± 0.0007 Å
b	10.7068 ± 0.0003 Å
c	21.8503 ± 0.0009 Å
α	90°
β	119.245 ± 0.005°
γ	90°
Cell volume	4008.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0469
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180325 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/39.	7153910.cif
121756	2014-08-08	cif/ Updating files of 7153910, 7153911, 7153912 Original log message: Adding full bibliography for 7153910--7153912.cif.	7153910.cif
117777	2014-06-17	cif/ Adding structures of 7153910, 7153911, 7153912 via cif-deposit CGI script.	7153910.cif