Crystallography Open Database

Information card for entry 7062895

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Coordinates	7062895.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NI-PXZ-Ph
Formula	C30 H18 N2 O3
Calculated formula	C30 H18 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	12.781 ± 0.0007 Å
b	12.868 ± 0.0006 Å
c	13.2627 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2181.26 ± 0.19 Å³
Cell temperature	273.7 K
Ambient diffraction temperature	273.7 K
Number of distinct elements	4
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	0.0677
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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