Crystallography Open Database

Information card for entry 7159647

Preview

Coordinates	7159647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H17 N O4 S
Calculated formula	C10 H17 N O4 S
Title of publication	Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.
Authors of publication	Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	46
Pages of publication	9182 - 9191
a	6.5356 ± 0.0002 Å
b	9.826 ± 0.0003 Å
c	20.5497 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1319.68 ± 0.07 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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