Crystallography Open Database

Information card for entry 7133010

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Coordinates	7133010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H18 O3
Calculated formula	C39 H18 O3
Title of publication	Synthesis and property of an O-doped aromatic belt
Authors of publication	Han, Ying; Guo, Wei-Chen; Du, Xu-Sheng; Chen, Chuan-Feng
Journal of publication	Chemical Communications
Year of publication	2024
a	11.4275 ± 0.0004 Å
b	15.9886 ± 0.0006 Å
c	16.0325 ± 0.0004 Å
α	90°
β	97.391 ± 0.003°
γ	90°
Cell volume	2904.96 ± 0.17 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2194
Residual factor for significantly intense reflections	0.1966
Weighted residual factors for significantly intense reflections	0.4689
Weighted residual factors for all reflections included in the refinement	0.482
Goodness-of-fit parameter for all reflections included in the refinement	3.461
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

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