Crystallography Open Database

Information card for entry 4135578

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Coordinates	4135578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 O2 S2
Calculated formula	C26 H24 O2 S2
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	7.83 ± 0.0003 Å
b	15.4081 ± 0.0006 Å
c	17.9103 ± 0.0007 Å
α	90°
β	92.518 ± 0.001°
γ	90°
Cell volume	2158.71 ± 0.15 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	4
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	0.0323
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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