Crystallography Open Database

Information card for entry 7132941

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Coordinates	7132941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 N2 O2 S
Calculated formula	C17 H22 N2 O2 S
Title of publication	Construction of thioglycoside bonds <i>via</i> an asymmetric organocatalyzed sulfa-Michael/aldol reaction: access to 4'-thionucleosides.
Authors of publication	Wei, Tao; Xie, Ming-Sheng; Guo, Hai-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	38
Pages of publication	5018 - 5021
a	10.9048 ± 0.0001 Å
b	14.2184 ± 0.0002 Å
c	11.9956 ± 0.0001 Å
α	90°
β	110.377 ± 0.001°
γ	90°
Cell volume	1743.51 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.2
Weighted residual factors for all reflections included in the refinement	0.2085
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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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