Crystallography Open Database

Information card for entry 7218506

Preview

Coordinates	7218506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 N3 O4 S
Calculated formula	C15 H16 N3 O4 S
Title of publication	A series of ditopic receptors for succinic acid binding
Authors of publication	Dey, Swapan; Sain, Dibyendu; Kumar, Ashish; Kumari, Chanda
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	93
Pages of publication	51486
a	8.085 ± 0.003 Å
b	9.738 ± 0.003 Å
c	10.671 ± 0.004 Å
α	78.516 ± 0.009°
β	83.189 ± 0.009°
γ	68.866 ± 0.009°
Cell volume	766.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0665
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.1646
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
180516 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/85.	7218506.cif
125449	2014-10-16	cif/ Adding structures of 7218506 via cif-deposit CGI script.	7218506.cif