Crystallography Open Database

Information card for entry 7062894

Preview

Coordinates	7062894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H17 F N2 O3
Calculated formula	C30 H17 F N2 O3
Title of publication	Fine-tuning of the charge-separated state energy in compact orthogonal naphthalene–phenoxazine dyads and its effect on the thermally-activated delayed fluorescence
Authors of publication	Tang, Jieyu; Liu, Xi; Zhang, Xue; Zhao, Jianzhang; Wan, Yan
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	48
Pages of publication	22418 - 22429
a	12.516 ± 0.0006 Å
b	12.9592 ± 0.0007 Å
c	13.5707 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2201.1 ± 0.2 Å³
Cell temperature	294.8 K
Ambient diffraction temperature	294.8 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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