Crystallography Open Database

Information card for entry 7155032

Preview

Coordinates	7155032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 N O3 Rh
Calculated formula	C31 H32 N O3 Rh
SMILES	[Rh]123(OC(=CC(=[O]1)C)C)[N]1=C(OC[C@@]1(C[CH]2=[CH2]3)Cc1ccccc1)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	9.7915 ± 0.0007 Å
b	10.0496 ± 0.0006 Å
c	33.148 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3261.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0499
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	7155032.cif
178322	2016-03-18	cif/ Adding structures of 7155032, 7155033 via cif-deposit CGI script.	7155032.cif