Crystallography Open Database

Information card for entry 1504803

Preview

Coordinates	1504803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H24 Ag Cl N2 O2
Calculated formula	C29 H24 Ag Cl N2 O2
SMILES	[Ag](Cl)=C1N(C(=C(N1c1ccccc1)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccccc1
Title of publication	Synthesis of electronically diverse tetraarylimidazolylidene carbenes via catalytic aldimine coupling.
Authors of publication	Ogle, James W.; Zhang, Jubo; Reibenspies, Joseph H.; Abboud, Khalil A.; Miller, Stephen A.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	17
Pages of publication	3677 - 3680
a	20.2507 ± 0.0013 Å
b	14.73 ± 0.001 Å
c	17.8733 ± 0.0012 Å
α	90°
β	111.846 ± 0.001°
γ	90°
Cell volume	4948.6 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0481
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504803.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504803.cif
42377	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504803 via cif-deposit CGI script.	1504803.cif