Crystallography Open Database

Information card for entry 1504802

Preview

Coordinates	1504802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Ag Cl F2 N2
Calculated formula	C27 H18 Ag Cl F2 N2
SMILES	[Ag](Cl)=C1N(C(c2ccc(F)cc2)=C(N1c1ccccc1)c1ccc(F)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	17.5486 ± 0.0014 Å
b	23.6751 ± 0.0019 Å
c	6.7198 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2791.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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.	1504802.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504802.cif
42376	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504802 via cif-deposit CGI script.	1504802.cif