Crystallography Open Database

Information card for entry 1503536

Preview

Coordinates	1503536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 F N3 O4 S2
Calculated formula	C26 H22 F N3 O4 S2
SMILES	S=C1O[C@@]2([C@]3(N1)c1ccccc1N(Cc1ccccc1)C3=O)c1cc(F)ccc1NC2=O.S(=O)(C)C.S=C1O[C@]2([C@@]3(N1)c1ccccc1N(Cc1ccccc1)C3=O)c1cc(F)ccc1NC2=O.S(=O)(C)C
Title of publication	Highly efficient and stereoselective construction of dispiro-[oxazolidine-2-thione]bisoxindoles and dispiro[imidazolidine-2-thione]bisoxindoles.
Authors of publication	Han, Yan-Yan; Chen, Wen-Bing; Han, Wen-Yong; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	2
Pages of publication	490 - 493
a	11.03 ± 0.005 Å
b	8.972 ± 0.005 Å
c	12.853 ± 0.005 Å
α	90 ± 0.005°
β	91.448 ± 0.005°
γ	90 ± 0.005°
Cell volume	1271.5 ± 1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503536.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503536.cif
37906	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 1503536 via cif-deposit CGI script.	1503536.cif