Crystallography Open Database

Information card for entry 7133009

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Coordinates	7133009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H36 O9
Calculated formula	C45 H36 O9
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	16.1779 ± 0.0003 Å
b	7.77835 ± 0.00017 Å
c	27.1947 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3422.11 ± 0.13 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	3
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1194
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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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