Crystallography Open Database

Information card for entry 7159139

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Coordinates	7159139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N2 O3 S
Calculated formula	C21 H20 N2 O3 S
Title of publication	Access to thiazoline and spiro[indoline-3,3'-thiophene] scaffolds <i>via</i> a formal [3 + 2] annulation reaction of crotonate-derived sulfur ylides and β-ketothioamides.
Authors of publication	Zheng, Jing; Gu, Hong; Chen, Qinfang; Yang, Weiran
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	10
Pages of publication	2069 - 2080
a	26.464 ± 0.011 Å
b	9.374 ± 0.004 Å
c	19.7 ± 0.01 Å
α	90°
β	130.263 ± 0.013°
γ	90°
Cell volume	3729 ± 3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1944
Weighted residual factors for all reflections included in the refinement	0.2074
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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