Crystallography Open Database

Information card for entry 4029756

Preview

Coordinates	4029756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 Au I N3 O3
Calculated formula	C24 H23 Au I N3 O3
SMILES	[Au](I)=C1N(c2ccccc2N1c1cccc(OC)c1c1c(OC)cccc1NC(=O)C)C
Title of publication	Synthesis of chiral mono(N-heterocyclic carbene) palladium and gold complexes with a 1,1'-biphenyl scaffold and their applications in catalysis.
Authors of publication	Liu, Lian-Jun; Wang, Feijun; Wang, Wenfeng; Zhao, Mei-Xin; Shi, Min
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2011
Journal volume	7
Pages of publication	555 - 564
a	9.2786 ± 0.0007 Å
b	25.5371 ± 0.0019 Å
c	10.1633 ± 0.0007 Å
α	90°
β	104.948 ± 0.001°
γ	90°
Cell volume	2326.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1
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
178476 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/97.	4029756.cif
120278	2014-07-14	cif/ Adding structures of 4029756 via cif-deposit CGI script.	4029756.cif