Crystallography Open Database

Information card for entry 7241071

Preview

Coordinates	7241071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H19 F6 N3
Calculated formula	C34 H19 F6 N3
SMILES	FC(F)(F)c1cc(c2nc(c3ccc(n4c5ccccc5c5c4cccc5)cc3)c3c(n2)cccc3)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	10.3025 ± 0.0011 Å
b	15.7894 ± 0.0017 Å
c	15.9352 ± 0.0016 Å
α	90°
β	92.997 ± 0.004°
γ	90°
Cell volume	2588.6 ± 0.5 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	169.99 K
Number of distinct elements	4
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	0.0618
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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