Crystallography Open Database

Information card for entry 7126665

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Coordinates	7126665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H34 N2 O8 S2
Calculated formula	C39 H36.503 N2 O8 S2
Title of publication	Stereoselective synthesis of fully substituted ethylenes via an Ag-catalyzed 1,6-nucleophilic addition/annulation cascade.
Authors of publication	Tang, Bu-Zheng; Hao, Wen-Juan; Li, Jia-Zhuo; Zhu, Shan-Shan; Tu, Shu-Jiang; Jiang, Bo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	56
Pages of publication	7749 - 7752
a	12.537 ± 0.012 Å
b	13.807 ± 0.013 Å
c	13.921 ± 0.014 Å
α	115.493 ± 0.011°
β	98.531 ± 0.012°
γ	104.79 ± 0.013°
Cell volume	2009 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2756
Residual factor for significantly intense reflections	0.1441
Weighted residual factors for significantly intense reflections	0.3298
Weighted residual factors for all reflections included in the refinement	0.3943
Goodness-of-fit parameter for all reflections included in the refinement	0.9
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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