Crystallography Open Database

Information card for entry 7123234

Preview

Coordinates	7123234.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(1Z,2Z)-1,2-bis((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-ylidene)hydrazine
Formula	C54 H88 N2
Calculated formula	C54 H88 N2
Title of publication	Ruthenium(ii)-catalysed direct synthesis of ketazines using secondary alcohols
Authors of publication	Kishore, Jugal; Thiyagarajan, Subramanian; Gunanathan, Chidambaram
Journal of publication	Chemical Communications
Year of publication	2019
a	13.5019 ± 0.0004 Å
b	10.207 ± 0.0003 Å
c	17.0548 ± 0.0005 Å
α	90°
β	95.13 ± 0.003°
γ	90°
Cell volume	2340.97 ± 0.12 Å³
Cell temperature	194 K
Ambient diffraction temperature	194 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1368
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
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
214418 (current)	2019-03-30	cif/ Adding structures of 7123233, 7123234, 7123235 via cif-deposit CGI script.	7123234.cif