Crystallography Open Database

Information card for entry 7158235

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Coordinates	7158235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 F3 O2
Calculated formula	C22 H17 F3 O2
Title of publication	Synthesis of cis/trans-dihydrochromenones via a photoinduced rearrangement of 4-phenyl-3-aryl/cyclohexenylcoumarins.
Authors of publication	Gao, Wangxi; Niu, Lixin; Wang, Tao; Liang, Yong; Wang, Ding; Zhang, Zunting
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	33
Pages of publication	7176 - 7180
a	16.1778 ± 0.001 Å
b	11.4254 ± 0.0007 Å
c	18.2577 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3374.7 ± 0.4 Å³
Cell temperature	182 K
Ambient diffraction temperature	182 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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