Crystallography Open Database

Information card for entry 7238921

Preview

Coordinates	7238921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 N6 O5 S
Calculated formula	C30 H46 N6 O5 S
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	7.9913 ± 0.0002 Å
b	12.2522 ± 0.0004 Å
c	17.6848 ± 0.0005 Å
α	78.78 ± 0.002°
β	89.551 ± 0.002°
γ	76.168 ± 0.002°
Cell volume	1647.83 ± 0.08 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	0.0629
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	7238921.cif