Crystallography Open Database

Information card for entry 4132456

Preview

Coordinates	4132456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H49 Au Cl F6 N P Sb
Calculated formula	C36 H49 Au Cl F6 N P Sb
SMILES	[Au]1([P](c2ccccc2[N]1(C)C)(C12CC3CC(CC(C3)C1)C2)C12CC3CC(C1)CC(C2)C3)(Cl)c1ccc(CC)cc1.[Sb](F)(F)(F)(F)(F)[F-]
Title of publication	Organometallic Gold(III) Reagents for Cysteine Arylation.
Authors of publication	Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	23
Pages of publication	7065 - 7069
a	9.8814 ± 0.0003 Å
b	11.6523 ± 0.0004 Å
c	16.7557 ± 0.0005 Å
α	108.751 ± 0.001°
β	103.739 ± 0.001°
γ	94.839 ± 0.001°
Cell volume	1747.31 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
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
242438 (current)	2019-11-26	cif/ Adding structures of 4132456, 4132457, 4132458, 4132459, 4132460, 4132461, 4132462, 4132463, 4132464, 4132465 via cif-deposit CGI script.	4132456.cif