Crystallography Open Database

Information card for entry 4024497

Preview

Coordinates	4024497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 F N5 O3 S
Calculated formula	C20 H23 F N5 O3 S
Title of publication	Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione
Authors of publication	Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	3398 - 3401
a	6.5865 ± 0.0007 Å
b	12.567 ± 0.0013 Å
c	14.6548 ± 0.0015 Å
α	66.545 ± 0.001°
β	81.086 ± 0.001°
γ	87.74 ± 0.001°
Cell volume	1099 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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