Crystallography Open Database

Information card for entry 7151732

Preview

Coordinates	7151732.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound-24A
Formula	C34 H30 N2 O
Calculated formula	C34 H30 N2 O
Title of publication	Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.
Authors of publication	He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	8
Pages of publication	2685 - 2701
a	9.4283 ± 0.0016 Å
b	10.252 ± 0.002 Å
c	14.872 ± 0.004 Å
α	77.695 ± 0.017°
β	79.25 ± 0.017°
γ	71.711 ± 0.014°
Cell volume	1322.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0826
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180303 (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 7/15/17.	7151732.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151732.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151732.cif
21246	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7151732, 7151733, 7151734 via cif-deposit CGI script.	7151732.cif