Crystallography Open Database

Information card for entry 4122165

Preview

Coordinates	4122165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H51 P
Calculated formula	C32 H51 P
Title of publication	Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.
Authors of publication	McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	28
Pages of publication	10166 - 10172
a	12.3099 ± 0.0014 Å
b	14.2308 ± 0.0016 Å
c	18.822 ± 0.002 Å
α	75.22 ± 0.002°
β	79.664 ± 0.002°
γ	88.112 ± 0.002°
Cell volume	3136.1 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1113
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.2008
Weighted residual factors for all reflections included in the refinement	0.231
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
179023 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/21.	4122165.cif
121288	2014-08-05	cif/ Updating files of 4122159, 4122160, 4122161, 4122162, 4122163, 4122164, 4122165, 4122166, 4122167 Original log message: Adding full bibliography for 4122159--4122167.cif.	4122165.cif
119785	2014-07-09	cif/ Adding structures of 4122165 via cif-deposit CGI script.	4122165.cif