Crystallography Open Database

Information card for entry 7249458

Preview

Coordinates	7249458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H19 F3 N2 O2
Calculated formula	C33 H19 F3 N2 O2
Title of publication	Molecular design and functional outcomes of RTP and TADF traits in isomers
Authors of publication	Chen, Meiling; Chen, Yuzhuo; Zhang, Ting; Zhang, Hua; Xiao, Zhiwen; Su, Zhongzhen; Wu, Yunan
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	44
Pages of publication	32221 - 32228
a	9.9594 ± 0.0003 Å
b	7.892 ± 0.0002 Å
c	32.1717 ± 0.0009 Å
α	90°
β	93.018 ± 0.002°
γ	90°
Cell volume	2525.18 ± 0.12 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.076
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.1715
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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