Crystallography Open Database

Information card for entry 1546024

Preview

Coordinates	1546024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H74 F10 O4 P Pd S
Calculated formula	C63 H74 F10 O4 P Pd S
Title of publication	Oxidative Addition Complexes as Precatalysts for Cross-Coupling Reactions Requiring Extremely Bulky Biarylphosphine Ligands.
Authors of publication	Ingoglia, Bryan T.; Buchwald, Stephen L.
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	11
Pages of publication	2853 - 2856
a	16.199 ± 0.003 Å
b	18.065 ± 0.003 Å
c	23.596 ± 0.004 Å
α	102.7 ± 0.004°
β	107.741 ± 0.004°
γ	106.042 ± 0.004°
Cell volume	5961.7 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1272
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2037
Weighted residual factors for all reflections included in the refinement	0.2399
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
197510 (current)	2017-06-05	cif/ Updating files of 1546024 Original log message: Adding full bibliography for 1546024.cif.	1546024.cif
196663	2017-05-13	cif/ Adding structures of 1546024 via cif-deposit CGI script.	1546024.cif