Crystallography Open Database

Information card for entry 7238923

Preview

Coordinates	7238923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H98 N12 O11 S2
Calculated formula	C68 H98 N12 O11 S2
Title of publication	Amidothiourea based colorimetric receptors for basic anions: evidence of anion induced deprotonation of amide ‒NH proton and hydroxide induced anion⋯π interaction with the deprotonated receptors
Authors of publication	Basu, Arghya; Dey, Sandeep Kumar; Das, Gopal
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	18
Pages of publication	6596
a	15.6959 ± 0.0006 Å
b	16.0526 ± 0.0007 Å
c	17.2487 ± 0.0008 Å
α	111.24 ± 0.002°
β	111.383 ± 0.002°
γ	93.571 ± 0.002°
Cell volume	3676.1 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.1103
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1891
Weighted residual factors for all reflections included in the refinement	0.2174
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
244463 (current)	2019-11-28	cif/ Adding structures of 7238920, 7238921, 7238922, 7238923 via cif-deposit CGI script.	7238923.cif