Crystallography Open Database

Information card for entry 1550400

Preview

Coordinates	1550400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H66 Cl2 N4 Ru
Calculated formula	C55 H66 Cl2 N4 Ru
SMILES	[Ru](Cl)(Cl)(=C1N(C=CN1c1c(cc(cc1C)C)C)C1CCCCCCC1)(=C1N(C=CN1c1c(cc(cc1C)C)C)C1CCCCCCC1)=C1C=C(c2ccccc12)c1ccccc1
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, Gwénael; Tripoteau, Fabien; Caijo, Frédéric; Queval, Pierre; Rouen, Mathieu; Baslé, Olivier; Mauduit, Marc
Journal of publication	Catalysis Science & Technology
Year of publication	2019
a	10.9047 ± 0.0004 Å
b	11.6314 ± 0.0005 Å
c	19.7689 ± 0.0009 Å
α	95.343 ± 0.004°
β	101.998 ± 0.003°
γ	100.664 ± 0.003°
Cell volume	2387.6 ± 0.18 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0986
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	0.768
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
212894 (current)	2019-01-11	cif/ Adding structures of 1550400 via cif-deposit CGI script.	1550400.cif