Crystallography Open Database

Information card for entry 7239789

Preview

Coordinates	7239789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H27 F3 N8 O6
Calculated formula	C16 H27 F3 N8 O6
Title of publication	Efficient syntheses of macrocycles ranging from 22‒28 atoms through spontaneous dimerization to yield bis-hydrazones
Authors of publication	Sharma, Vishal R.; Mehmood, Arshad; Janesko, Benjamin G.; Simanek, Eric E.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	6
Pages of publication	3217 - 3220
a	24.515 ± 0.01 Å
b	8.492 ± 0.004 Å
c	25.298 ± 0.01 Å
α	90°
β	119.248 ± 0.012°
γ	90°
Cell volume	4595 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.13 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1421
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
258056 (current)	2020-10-06	cif/ Updating files of 7239788, 7239789, 7239790, 7239791, 7239792 Original log message: Adding full bibliography for 7239788--7239792.cif.	7239789.cif
247049	2020-01-21	cif/ Adding structures of 7239788, 7239789, 7239790, 7239791, 7239792 via cif-deposit CGI script.	7239789.cif