Crystallography Open Database

Information card for entry 7230821

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Coordinates	7230821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H13 Cl O4 S
Calculated formula	C21 H13 Cl O4 S
Title of publication	Visible-light mediated 3-component synthesis of sulfonylated coumarins from sulfur dioxide
Authors of publication	Chen, Zhengkai; Liu, Nai-Wei; Bolte, Michael; Ren, Hongjun; Manolikakes, Georg
Journal of publication	Green Chemistry
Year of publication	2018
Journal volume	20
Journal issue	13
Pages of publication	3059
a	12.8859 ± 0.0012 Å
b	5.6317 ± 0.0003 Å
c	25.025 ± 0.002 Å
α	90°
β	92.804 ± 0.008°
γ	90°
Cell volume	1813.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1858
Weighted residual factors for all reflections included in the refinement	0.1986
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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