Crystallography Open Database

Information card for entry 7160303

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Coordinates	7160303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 O3 S
Calculated formula	C15 H14 O3 S
Title of publication	H<sub>3</sub>PO<sub>3</sub> promoted reactions of thioamides with 2-substituted benzyl alcohols.
Authors of publication	Duari, Surajit; Maity, Srabani; Biswas, Subrata; Roy, Arnab; Elsharif, Asma M.; Biswas, Srijit
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	6
Pages of publication	1418 - 1424
a	4.4993 ± 0.0014 Å
b	15.165 ± 0.004 Å
c	19.844 ± 0.006 Å
α	90°
β	96.395 ± 0.01°
γ	90°
Cell volume	1345.6 ± 0.7 Å³
Cell temperature	189.68 K
Ambient diffraction temperature	189.68 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	0.0518
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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