Crystallography Open Database

Information card for entry 4135575

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Coordinates	4135575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Cl O S
Calculated formula	C15 H15 Cl O S
Title of publication	Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.
Authors of publication	Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas
Journal of publication	Journal of the American Chemical Society
Year of publication	2021
Journal volume	143
Journal issue	2
Pages of publication	1216 - 1223
a	10.25 ± 0.0007 Å
b	15.3411 ± 0.001 Å
c	8.6672 ± 0.0005 Å
α	90°
β	90.251 ± 0.002°
γ	90°
Cell volume	1362.87 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0391
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.177
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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