Crystallography Open Database

Information card for entry 7222972

Preview

Coordinates	7222972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 N4 O2.2 S
Calculated formula	C30 H30 N4 O2.2 S
Title of publication	Aggregates of hydrazono-sulfonamide adduct as picric acid sensor
Authors of publication	Mahendran, Vaithiyanathan; SHANMUGAM, SIVAKUMAR
Journal of publication	RSC Adv.
Year of publication	2015
a	13.4218 ± 0.0017 Å
b	10.5641 ± 0.0011 Å
c	19.169 ± 0.003 Å
α	90°
β	106.172 ± 0.007°
γ	90°
Cell volume	2610.4 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1702
Weighted residual factors for all reflections included in the refinement	0.1817
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7222972.cif
169177	2015-10-15	cif/ Adding structures of 7222972 via cif-deposit CGI script.	7222972.cif