Crystallography Open Database

Information card for entry 7241072

Preview

Coordinates	7241072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H21 Cl2 F6 N3 O
Calculated formula	C35 H21 Cl2 F6 N3 O
SMILES	ClCCl.FC(F)(F)c1cc(c2nc3ccccc3c(n2)c2ccc(N3c4ccccc4Oc4c3cccc4)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	10.437 ± 0.004 Å
b	11.159 ± 0.004 Å
c	26.443 ± 0.008 Å
α	90°
β	93.92 ± 0.012°
γ	90°
Cell volume	3072.5 ± 1.9 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 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	0.0639
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	7241072.cif
255421	2020-08-18	cif/ Adding structures of 7241071, 7241072, 7241073, 7241074 via cif-deposit CGI script.	7241072.cif