Crystallography Open Database

Information card for entry 7242194

Preview

Coordinates	7242194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H6 F5 N O
Calculated formula	C15 H6 F5 N O
SMILES	Fc1c(Oc2c3cccnc3ccc2)c(F)c(F)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	14.293 ± 0.005 Å
b	7.17 ± 0.003 Å
c	23.932 ± 0.008 Å
α	90°
β	92.238 ± 0.011°
γ	90°
Cell volume	2450.7 ± 1.6 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 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	0.1561
Residual factor for significantly intense reflections	0.0845
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.1946
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	7242194.cif
261286	2021-01-28	cif/ Adding structures of 7242192, 7242193, 7242194 via cif-deposit CGI script.	7242194.cif