Crystallography Open Database

Information card for entry 1565819

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Coordinates	1565819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 O3
Calculated formula	C24 H24 O3
Title of publication	Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation
Authors of publication	Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	4
Pages of publication	1003 - 1008
a	6.0869 ± 0.0003 Å
b	17.6346 ± 0.0009 Å
c	17.8806 ± 0.0009 Å
α	90°
β	92.23 ± 0.003°
γ	90°
Cell volume	1917.85 ± 0.17 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1896
Weighted residual factors for all reflections included in the refinement	0.207
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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