Crystallography Open Database

Information card for entry 7242193

Preview

Coordinates	7242193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H6 F4 I N O
Calculated formula	C15 H6 F4 I N O
SMILES	Ic1c(F)c(F)c(Oc2cccc3c2nccc3)c(F)c1F
Title of publication	Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers
Authors of publication	Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	8
Pages of publication	1695 - 1699
a	14.522 ± 0.003 Å
b	12.084 ± 0.003 Å
c	8.162 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1432.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
262559 (current)	2021-03-05	cif/ Updating files of 7242192, 7242193, 7242194 Original log message: Adding full bibliography for 7242192--7242194.cif.	7242193.cif
261286	2021-01-28	cif/ Adding structures of 7242192, 7242193, 7242194 via cif-deposit CGI script.	7242193.cif