Crystallography Open Database

Information card for entry 4516701

Preview

Coordinates	4516701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H35 O5 P
Calculated formula	C26 H35 O5 P
SMILES	C1(=O)c2c(c(cc(c2)C(C)(C)C)C(C)(C)C)OP(Oc2c(cc(cc2)OC)C(C)(C)C)O1
Title of publication	Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins
Authors of publication	Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	11
Pages of publication	7554
a	9.4338 ± 0.0003 Å
b	11.4458 ± 0.0003 Å
c	23.1231 ± 0.0007 Å
α	90°
β	97.4269 ± 0.0008°
γ	90°
Cell volume	2475.83 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
239470 (current)	2019-11-24	cif/ Adding structures of 4516701 via cif-deposit CGI script.	4516701.cif