Crystallography Open Database

Information card for entry 1571632

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Coordinates	1571632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Cl N O3 S2
Calculated formula	C20 H22 Cl N O3 S2
Title of publication	Palladium-catalyzed selective C-C bond cleavage of keto-vinylidenecyclopropanes: construction of structurally rich dihydrofurans and tetrahydrofurans.
Authors of publication	Ning, Chao; Yu, Ziqi; Shi, Min; Wei, Yin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	24
Pages of publication	9192 - 9200
a	19.7752 ± 0.0008 Å
b	9.1254 ± 0.0003 Å
c	11.5285 ± 0.0004 Å
α	90°
β	96.477 ± 0.001°
γ	90°
Cell volume	2067.12 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0522
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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