Crystallography Open Database

Information card for entry 7246014

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Coordinates	7246014.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1
Formula	C20 H19 I O6 S
Calculated formula	C20 H19 I O6 S
Title of publication	Highly selective catalyst- and additive-free iodosulfonylation of cyclopropenes in water
Authors of publication	Peng, Chuxiong; Gu, Fengyan; Lin, Xiaofeng; Ding, Ning; Zhan, Qichen; Cao, Peng; Cao, Tao
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	2
Pages of publication	671 - 677
a	6.8727 ± 0.0009 Å
b	7.4757 ± 0.001 Å
c	10.7012 ± 0.0013 Å
α	75.161 ± 0.012°
β	88.164 ± 0.011°
γ	77.878 ± 0.012°
Cell volume	519.48 ± 0.12 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1093
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.212
Weighted residual factors for all reflections included in the refinement	0.2652
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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