Crystallography Open Database

Information card for entry 1567338

Preview

Coordinates	1567338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C167 H215 Au4 B4 Cl4 F16 N21 O9
Calculated formula	C167 H215 Au4 B4 Cl4 F16 N21 O9
Title of publication	Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids
Authors of publication	Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	32
Pages of publication	9351 - 9360
a	16.4149 ± 0.0008 Å
b	23.5323 ± 0.0012 Å
c	24.8306 ± 0.0013 Å
α	64.105 ± 0.001°
β	80.992 ± 0.002°
γ	81.246 ± 0.001°
Cell volume	8484.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1132
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1554
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
277651 (current)	2022-09-06	cif/ Updating files of 1567327, 1567328, 1567329, 1567330, 1567331, 1567332, 1567333, 1567334, 1567335, 1567336, 1567337, 1567338 Original log message: Adding full bibliography for 1567327--1567338.cif.	1567338.cif
276809	2022-07-23	cif/ Adding structures of 1567327, 1567328, 1567329, 1567330, 1567331, 1567332, 1567333, 1567334, 1567335, 1567336, 1567337, 1567338 via cif-deposit CGI script.	1567338.cif