Crystallography Open Database

Information card for entry 7230349

Preview

Coordinates	7230349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H9 F6 N
Calculated formula	C19 H9 F6 N
Title of publication	Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission
Authors of publication	Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	16
Pages of publication	2316
a	7.0822 ± 0.0001 Å
b	15.6783 ± 0.0002 Å
c	14.5087 ± 0.0002 Å
α	90°
β	96.968 ± 0.001°
γ	90°
Cell volume	1599.1 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
229019 (current)	2019-11-17	cif/ Updating files of 7230349, 7230350, 7230351, 7230352, 7230353, 7230354, 7230355, 7230356, 7230357, 7230358 Original log message: Adding full bibliography for 7230349--7230358.cif.	7230349.cif
207085	2018-03-24	cif/ Adding structures of 7230349, 7230350, 7230351, 7230352, 7230353, 7230354, 7230355, 7230356, 7230357, 7230358 via cif-deposit CGI script.	7230349.cif