Crystallography Open Database

Information card for entry 4106629

Preview

Coordinates	4106629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H43 B O2 P2 Pd Si
Calculated formula	C43 H43 B O2 P2 Pd Si
Title of publication	Efficient Synthesis of Diborylalkenes from Alkenes and Diboron by a New PSiP-Pincer Palladium-Catalyzed Dehydrogenative Borylation
Authors of publication	Jun Takaya; Naohiro Kirai; Nobuharu Iwasawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12980 - 12983
a	8.5513 ± 0.0006 Å
b	22.4101 ± 0.0016 Å
c	32.205 ± 0.003 Å
α	82.629 ± 0.003°
β	85.393 ± 0.003°
γ	79.455 ± 0.003°
Cell volume	6007 ± 0.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0784
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.1726
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178812 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/66.	4106629.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106629.cif
53431	2012-04-19	cif/ Adding structures of 4106629 via cif-deposit CGI script.	4106629.cif