Crystallography Open Database

Information card for entry 4105814

Preview

Coordinates	4105814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 N O
Calculated formula	C24 H21 N O
SMILES	C1(=O)[C@H]([C@H](c2ccccc2)N1C)C=C(c1ccccc1)c1ccccc1.C1(=O)[C@@H]([C@@H](c2ccccc2)N1C)C=C(c1ccccc1)c1ccccc1
Title of publication	Pd-Catalyzed Carbonylation of Diazo Compounds at Atmospheric Pressure: A Catalytic Approach to Ketenes
Authors of publication	Zhenhua Zhang; Yiyang Liu; Lin Ling; Yuxue Li; Yian Dong; Mingxing Gong; Xiaokun Zhao; Yan Zhang; Jianbo Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	4330 - 4341
a	6.0402 ± 0.0012 Å
b	8.902 ± 0.0018 Å
c	18.078 ± 0.004 Å
α	90.7 ± 0.03°
β	92.98 ± 0.03°
γ	99.81 ± 0.03°
Cell volume	956.3 ± 0.4 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	0.146
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
178804 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/58.	4105814.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105814.cif
52584	2012-04-12	../uploads/cif-deposit/cod/cif Adding structures of 4105814 via cif-deposit CGI script.	4105814.cif