Crystallography Open Database

Information card for entry 7248211

Preview

Coordinates	7248211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 N2 O2
Calculated formula	C36 H24 N2 O2
SMILES	O=C1c2c3c(cccc3C(=O)N1c1ccccc1)c(cc2)c1ccc(N(c2ccccc2)c2ccccc2)cc1
Title of publication	Efficient orange and red thermally activated delayed fluorescence materials based on 1,8-naphthalimide derivatives
Authors of publication	Chen, Meiling; Chen, Yuzhuo; Li, Yan; Lin, Yuhong; Wu, Yunan
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	10
Pages of publication	6494 - 6500
a	10.9035 ± 0.0004 Å
b	16.1895 ± 0.0006 Å
c	24.4187 ± 0.0017 Å
α	102.495 ± 0.005°
β	95.298 ± 0.004°
γ	105.416 ± 0.003°
Cell volume	4005.2 ± 0.4 Å³
Cell temperature	291.7 ± 0.6 K
Ambient diffraction temperature	291.7 ± 0.6 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1625
Residual factor for significantly intense reflections	0.1377
Weighted residual factors for significantly intense reflections	0.3838
Weighted residual factors for all reflections included in the refinement	0.4112
Goodness-of-fit parameter for all reflections included in the refinement	1.384
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292638 (current)	2024-06-28	cif/7: Fixing Z values and formulae	7248211.cif
289927	2024-02-22	cif/ Adding structures of 7248210, 7248211 via cif-deposit CGI script.	7248211.cif