Crystallography Open Database

Information card for entry 7159949

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Coordinates	7159949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 N O4 S
Calculated formula	C22 H29 N O4 S
Title of publication	Palladium Catalyzed Stereoselective Intramolecular [3+2] Cycloaddition Reactions of (E) & (Z)-Ene-Vinylidenecyclopropanes
Authors of publication	Ning, Chao; Yu, Ziqi; Wei, Yin; Shi, Min
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	7.6269 ± 0.0002 Å
b	12.3105 ± 0.0003 Å
c	23.0037 ± 0.0005 Å
α	90°
β	91.242 ± 0.002°
γ	90°
Cell volume	2159.33 ± 0.09 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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