Crystallography Open Database

Information card for entry 7230820

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Coordinates	7230820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 O5 S
Calculated formula	C22 H16 O5 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	7.7651 ± 0.0006 Å
b	16.4066 ± 0.0012 Å
c	14.1404 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1801.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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