Crystallography Open Database

Information card for entry 4135061

Preview

Coordinates	4135061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H25 Ge N O2
Calculated formula	C29 H25 Ge N O2
Title of publication	Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides.
Authors of publication	Debrauwer, Vincent; Turlik, Aneta; Rummler, Lénaic; Prescimone, Alessandro; Blanchard, Nicolas; Houk, K. N.; Bizet, Vincent
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	25
Pages of publication	11153 - 11164
a	10.3008 ± 0.0008 Å
b	10.3151 ± 0.0009 Å
c	13.5595 ± 0.0014 Å
α	94.497 ± 0.008°
β	103.341 ± 0.007°
γ	119.914 ± 0.006°
Cell volume	1182.7 ± 0.2 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for all reflections	0.064
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.0623
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253726 (current)	2020-07-04	cif/ Updating files of 4135061, 4135062, 4135063 Original log message: Adding full bibliography for 4135061--4135063.cif.	4135061.cif
253099	2020-06-12	cif/ Adding structures of 4135061 via cif-deposit CGI script.	4135061.cif