Crystallography Open Database

Information card for entry 7241073

Preview

Coordinates	7241073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H21 F6 N3
Calculated formula	C34 H21 F6 N3
SMILES	FC(F)(F)c1cc(c2nc3ccccc3c(n2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(c1)C(F)(F)F
Title of publication	Preparation and photophysical properties of quinazoline-based fluorophores
Authors of publication	Wang, Zhichao; Li, Hanjie; Peng, Zhixing; Wang, Zaibin; Wang, Yanguang; Lu, Ping
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	51
Pages of publication	30297 - 30303
a	9.459 ± 0.003 Å
b	12.647 ± 0.003 Å
c	13.633 ± 0.003 Å
α	92.321 ± 0.011°
β	107.307 ± 0.012°
γ	92.887 ± 0.013°
Cell volume	1552.4 ± 0.7 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 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	0.0678
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1738
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
257976 (current)	2020-10-06	cif/ Updating files of 7241071, 7241072, 7241073, 7241074 Original log message: Adding full bibliography for 7241071--7241074.cif.	7241073.cif
255421	2020-08-18	cif/ Adding structures of 7241071, 7241072, 7241073, 7241074 via cif-deposit CGI script.	7241073.cif