Crystallography Open Database

Information card for entry 7155033

Preview

Coordinates	7155033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H36 N O3 Rh
Calculated formula	C37 H36 N O3 Rh
SMILES	[Rh]123(OC(=CC(=[O]1)C)C)[N]1[C@@](C[CH]3=[CH2]2)(COC=1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
Title of publication	Two phenyls are better than one or three: synthesis and application of terminal olefin-oxazoline (TOlefOx) ligands.
Authors of publication	Zhao, Yi-Shuang; Liu, Jian-Kang; He, Zhi-Tao; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	15
Pages of publication	3686 - 3689
a	10.8993 ± 0.0007 Å
b	13.2135 ± 0.0008 Å
c	21.2588 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3061.6 ± 0.3 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	5
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	0.0347
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
182780 (current)	2016-05-06	cif/ Updating files of 7155032, 7155033 Original log message: Adding full bibliography for 7155032--7155033.cif.	7155033.cif
178322	2016-03-18	cif/ Adding structures of 7155032, 7155033 via cif-deposit CGI script.	7155033.cif