Crystallography Open Database

Information card for entry 1550290

Preview

Coordinates	1550290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H82 Cl2 N4 Ru
Calculated formula	C63 H82 Cl2 N4 Ru
SMILES	[Ru](Cl)(Cl)(=C1N(C=CN1C1CCCCCCCCCCC1)c1c(cc(cc1C)C)C)(=C1C=C(c2ccccc12)c1ccccc1)=C1N(C=CN1C1CCCCCCCCCCC1)c1c(cc(cc1C)C)C
Title of publication	Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution
Authors of publication	DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc
Journal of publication	Catalysis Science & Technology
Year of publication	2019
a	11.206 ± 0.0003 Å
b	15.0047 ± 0.0004 Å
c	33.7602 ± 0.001 Å
α	90°
β	96.909 ± 0.003°
γ	90°
Cell volume	5635.3 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.1651
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0505
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	0.685
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
212180 (current)	2018-11-27	cif/ Adding structures of 1550289, 1550290, 1550291, 1550292 via cif-deposit CGI script.	1550290.cif