Crystallography Open Database

Information card for entry 7156631

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Coordinates	7156631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 O3 S
Calculated formula	C26 H22 O3 S
Title of publication	A one-pot metal-free protocol for the synthesis of chalcogenated furans from 1,4-enediones and thiols.
Authors of publication	Rajeshkumar, Venkatachalam; Neelamegam, Chinnaraj; Anandan, Sambandam
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	4
Pages of publication	982 - 991
a	10.9451 ± 0.0003 Å
b	7.79 ± 0.0002 Å
c	25.6813 ± 0.0009 Å
α	90°
β	95.0229 ± 0.0014°
γ	90°
Cell volume	2181.24 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0694
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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