Crystallography Open Database

Information card for entry 1540718

Preview

Coordinates	1540718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H37 F3 N O7 P2 Rh S
Calculated formula	C35 H37 F3 N O7 P2 Rh S
SMILES	[Rh]1(OC(=CC(=[O]1)C)C)([P](N([P+](c1ccccc1)(c1ccccc1)C)CCOC)(c1ccccc1)c1ccccc1)C#[O].S(=O)(=O)([O-])C(F)(F)F
Title of publication	Phosphonium-based aminophosphines as bifunctional ligands for sequential catalysis of one-pot hydroformylation‒acetalization of olefins
Authors of publication	Wang, Peng; Liu, Huan; Li, Yong-Qi; Zhao, Xiao-Li; Lu, Yong; Liu, Ye
Journal of publication	Catal. Sci. Technol.
Year of publication	2016
Journal volume	6
Journal issue	11
Pages of publication	3854
a	11.2087 ± 0.0004 Å
b	15.5479 ± 0.0006 Å
c	20.7874 ± 0.0008 Å
α	90°
β	97.185 ± 0.001°
γ	90°
Cell volume	3594.2 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185093 (current)	2016-08-07	cif/ Updating files of 1540718 Original log message: Adding full bibliography for 1540718.cif.	1540718.cif
171705	2015-12-23	cif/ Adding structures of 1540718 via cif-deposit CGI script.	1540718.cif