Crystallography Open Database

Information card for entry 7242192

Preview

Coordinates	7242192.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(Oc2c3cccnc3ccc2)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	11.6686 ± 0.0018 Å
b	4.5292 ± 0.0007 Å
c	25.933 ± 0.004 Å
α	90°
β	102.908 ± 0.005°
γ	90°
Cell volume	1335.9 ± 0.4 Å³
Cell temperature	161 ± 2 K
Ambient diffraction temperature	161 ± 2 K
Number of distinct elements	6
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	0.1034
Residual factor for significantly intense reflections	0.093
Weighted residual factors for significantly intense reflections	0.2381
Weighted residual factors for all reflections included in the refinement	0.243
Goodness-of-fit parameter for all reflections included in the refinement	1.249
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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