Crystallography Open Database

Information card for entry 4023486

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Structure parameters

Formula	C29 H26 Au Cl N2 O2
Calculated formula	C29 H26 Au Cl N2 O2
SMILES	[Au](Cl)=C1N([C@H]([C@@H](N1c1ccccc1OC)c1ccccc1)c1ccccc1)c1ccccc1OC
Title of publication	C~2~ Symmetric Chiral NHC Ligand for Asymmetric Quaternary Carbon Constructing Copper-Catalyzed Conjugate Addition of Grignard Reagents to 3-Substituted Cyclohexenones
Authors of publication	Yasumasa Matsumoto; Ken-ichi Yamada; Kiyoshi Tomioka
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	4578 - 4581
a	9.9402 ± 0.0003 Å
b	15.3528 ± 0.0005 Å
c	16.3562 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2496.12 ± 0.13 Å³
Cell temperature	98.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	1.385
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4023486.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4023486.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4023486.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4023486.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4023486.cif
762	2009-06-20	cif/4/: Adding CIFs from the J-Org-Chem-2008 deposition.	4023486.cif