Crystallography Open Database

Information card for entry 4121167

Preview

Structure parameters

Formula	C45 H37 O4 P2 Rh
Calculated formula	C45 H37 O4 P2 Rh
SMILES	c12c(cccc1)c1c(cccc1)[P]([Rh]1([O]=C(c3c(OC)cccc3OC)O1)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Methoxy-Directed Aryl-to-Aryl 1,3-Rhodium Migration
Authors of publication	Jing Zhang; Jun-Feng Liu; Angel Ugrinov; Anthony F. X. Pillai; Zhong-Ming Sun; Pinjing Zhao
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	17270 - 17273
a	13.498 ± 0.005 Å
b	26.851 ± 0.01 Å
c	14.881 ± 0.005 Å
α	90°
β	101.799 ± 0.007°
γ	90°
Cell volume	5279 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4121167.html