Crystallography Open Database

Information card for entry 4063438

Preview

Coordinates	4063438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H72 B2 P2
Calculated formula	C54 H72 B2 P2
Title of publication	Platinum-Catalyzed Asymmetric Alkylation of Bis(isitylphosphino)ethane: Stereoselectivity Reversal in Successive Formation of Two P−C Bonds
Authors of publication	Chapp, Timothy W.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	2
Pages of publication	378
a	30.6779 ± 0.0006 Å
b	18.9288 ± 0.0003 Å
c	16.8358 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9776.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1039
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.2069
Weighted residual factors for all reflections included in the refinement	0.24
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178529 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/34.	4063438.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063438.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063438.cif
19490	2011-05-11	../uploads/cif-deposit/cod/cif Adding structures of 4063437, 4063438, 4063439, 4063440, 4063441 via cif-deposit CGI script.	4063438.cif