Crystallography Open Database

Information card for entry 7234887

Preview

Coordinates	7234887.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-(4-dicyanomethylenecyclohexa-2,5-dieny1idene)-imidazolidine.DMF
Formula	C15 H17 N5 O
Calculated formula	C15 H17 N5 O
SMILES	O=CN(C)C.N1C(NCC1)=C1C=CC(C=C1)=C(C#N)C#N
Title of publication	Fluorescence enhancement in crystals tuned by a molecular torsion angle: a model to analyze structural impact
Authors of publication	P. Srujana; Tarun Gera; T. P. Radhakrishnan
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	6510 - 6515
a	5.6328 ± 0.0005 Å
b	11.2617 ± 0.001 Å
c	11.2686 ± 0.001 Å
α	86.443 ± 0.001°
β	77.439 ± 0.001°
γ	85.486 ± 0.001°
Cell volume	694.81 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0375
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
220592 (current)	2019-10-31	cif/ Adding structures of 7234887, 7234888, 7234889 via cif-deposit CGI script.	7234887.cif