Crystallography Open Database

Information card for entry 1503878

Preview

Coordinates	1503878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 Cl2 O4 P2 Pd
Calculated formula	C24 H34 Cl2 O4 P2 Pd
SMILES	[Pd]1(Cl)(Cl)[P@@]2(CCOCCOCCOCCOCC[P@]1(c1ccccc1)CC2)c1ccccc1
Title of publication	Practical synthesis of P-stereogenic diphosphacrowns.
Authors of publication	Morisaki, Yasuhiro; Imoto, Hiroaki; Tsurui, Kazuhiko; Chujo, Yoshiki
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2241 - 2244
a	9.2921 ± 0.0016 Å
b	14.879 ± 0.002 Å
c	18.8246 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2602.6 ± 0.6 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	0.748
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503878.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503878.cif
39166	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503878 via cif-deposit CGI script.	1503878.cif