Crystallography Open Database

Information card for entry 7248382

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Coordinates	7248382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Cl F2 N O5 S
Calculated formula	C26 H20 Cl F2 N O5 S
Title of publication	Photocatalyst-free H2O-regulated and regiodivergent multicomponent hydrogenation/bifunctional sulfonylation of alkynes
Authors of publication	Sun, Jie; Wang, Chaodong; Wu, Chunlei; Wang, Wenjian; Zeng, Yue; Song, Shengjie; Chen, Zhiwei; Li, Jianjun
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	6
Pages of publication	3301 - 3307
a	6.3919 ± 0.0004 Å
b	10.6731 ± 0.0006 Å
c	18.7577 ± 0.0011 Å
α	73.689 ± 0.002°
β	87.428 ± 0.002°
γ	75.023 ± 0.002°
Cell volume	1185.92 ± 0.12 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.219
Weighted residual factors for all reflections included in the refinement	0.2236
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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