Crystallography Open Database

Information card for entry 7219894

7219893 << 7219894 >> 7219895

Preview

Coordinates	7219894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 N4 O7 S
Calculated formula	C22 H30 N4 O7 S
Title of publication	Conformational adaptations of acyclic receptor templated by weakly coordinating anions
Authors of publication	Đilović, I.; Užarević, K.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	16
Pages of publication	3153
a	8.0072 ± 0.0005 Å
b	11.8432 ± 0.0009 Å
c	13.3307 ± 0.0009 Å
α	96.449 ± 0.006°
β	106.074 ± 0.006°
γ	97.869 ± 0.006°
Cell volume	1188.22 ± 0.15 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.156
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7219894.html