Crystallography Open Database

Information card for entry 7226821

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Structure parameters

Formula	C17 H22 N4 O3
Calculated formula	C17 H22 N4 O3
Title of publication	A colorimetric and “turn-on” fluorimetric chemosensor for selective detection of cyanide and its application in food sample
Authors of publication	Hu, JingHan; Sun, You; Qi, Jing; Pei, Peng-Xiang; Lin, Qi; Zhang, You-Ming
Journal of publication	RSC Adv.
Year of publication	2016
a	7.1776 ± 0.0019 Å
b	9.8366 ± 0.0015 Å
c	13.673 ± 0.006 Å
α	94.51 ± 0.02°
β	105.05 ± 0.03°
γ	104.13 ± 0.018°
Cell volume	893.6 ± 0.5 Å³
Cell temperature	293.16 ± 0.13 K
Ambient diffraction temperature	293.16 ± 0.13 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1944
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	0.707
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226821.cif
187392	2016-10-18	cif/ Adding structures of 7226821 via cif-deposit CGI script.	7226821.cif