Crystallography Open Database

Information card for entry 7225452

Preview

Structure parameters

Formula	C32 H52 F N5 O4
Calculated formula	C32 H52 F N5 O4
SMILES	c1c(/C=N/O)cccc1/C=N/O.c1(cc(/C=N/O)ccc1)/C=N/O.C(CCC)[N+](CCCC)(CCCC)CCCC.[F-]
Title of publication	Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime
Authors of publication	Tarai, Arup; Baruah, Jubaraj B.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	29
Pages of publication	5482
a	20.7631 ± 0.0008 Å
b	8.2356 ± 0.0003 Å
c	21.9337 ± 0.0008 Å
α	90°
β	107.378 ± 0.002°
γ	90°
Cell volume	3579.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1286
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1613
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
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.	7225452.cif
185260	2016-08-07	cif/ Updating files of 7225451, 7225452, 7225453 Original log message: Adding full bibliography for 7225451--7225453.cif.	7225452.cif
183372	2016-06-11	cif/ Adding structures of 7225451, 7225452, 7225453 via cif-deposit CGI script.	7225452.cif