Crystallography Open Database

Information card for entry 4028058

Preview

Coordinates	4028058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H42 Cl2 O4 P2 Pt
Calculated formula	C24 H42 Cl2 O4 P2 Pt
SMILES	[P@@]12(CCOCCOc3ccccc3OCCOCC[P@@](CC1)([Pt]2(Cl)Cl)C(C)(C)C)C(C)(C)C
Title of publication	Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines
Authors of publication	Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	2769 - 2774
a	11.3813 ± 0.0006 Å
b	14.2524 ± 0.0008 Å
c	17.1841 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2787.4 ± 0.3 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	0.0416
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0776
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178459 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/80.	4028058.cif
94109	2014-01-21	cif/ Adding structures of 4028058 via cif-deposit CGI script.	4028058.cif