Crystallography Open Database

Information card for entry 7239791

Preview

Coordinates	7239791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H54 F6 N16 O11
Calculated formula	C33 H54 F6 N16 O11
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	8.3279 ± 0.0004 Å
b	15.8912 ± 0.0009 Å
c	16.9567 ± 0.0009 Å
α	98.047 ± 0.002°
β	96.401 ± 0.002°
γ	98.061 ± 0.002°
Cell volume	2180.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.05 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	0.093
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.2209
Weighted residual factors for all reflections included in the refinement	0.2303
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7239791.cif
247049	2020-01-21	cif/ Adding structures of 7239788, 7239789, 7239790, 7239791, 7239792 via cif-deposit CGI script.	7239791.cif