Crystallography Open Database

Information card for entry 7118756

Preview

Coordinates	7118756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 N24 O21.5
Calculated formula	C42 H42 N24 O21.33
Title of publication	Triggering autocatalytic reaction by host-guest interactions.
Authors of publication	Sashuk, Volodymyr; Butkiewicz, Helena; Fiałkowski, Marcin; Danylyuk, Oksana
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	22
Pages of publication	4191 - 4194
a	12.6407 ± 0.0002 Å
b	15.8596 ± 0.0002 Å
c	12.6429 ± 0.0002 Å
α	90°
β	102.853 ± 0.002°
γ	90°
Cell volume	2471.1 ± 0.07 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181523 (current)	2016-04-05	cif/ Updating files of 7118753, 7118754, 7118755, 7118756 Original log message: Adding full bibliography for 7118753--7118756.cif.	7118756.cif
176485	2016-02-17	cif/ Adding structures of 7118753, 7118754, 7118755, 7118756 via cif-deposit CGI script.	7118756.cif