Crystallography Open Database

Information card for entry 7241243

Preview

Coordinates	7241243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H78 O9 S4
Calculated formula	C74 H78 O9 S4
Title of publication	Smart control of calixarene polymorphic states
Authors of publication	Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery
Journal of publication	CrystEngComm
Year of publication	2020
a	14.8427 ± 0.0007 Å
b	14.9332 ± 0.0007 Å
c	17.2153 ± 0.0008 Å
α	68.192 ± 0.001°
β	81.105 ± 0.001°
γ	74.912 ± 0.001°
Cell volume	3413.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1597
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.1867
Weighted residual factors for all reflections included in the refinement	0.2339
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7241243.html