Crystallography Open Database

Information card for entry 1505838

Preview

Coordinates	1505838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 F2 N O5 S
Calculated formula	C23 H25 F2 N O5 S
SMILES	S(=O)(=O)(Cc1ccccc1)[C@H]1[C@@H](c2cc(F)cc(F)c2N(C1=O)C)CC(=O)OC(C)(C)C.S(=O)(=O)(Cc1ccccc1)[C@@H]1[C@H](c2cc(F)cc(F)c2N(C1=O)C)CC(=O)OC(C)(C)C
Title of publication	Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.
Authors of publication	Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	2
Pages of publication	329 - 332
a	17.2061 ± 0.0008 Å
b	16.3253 ± 0.0008 Å
c	16.2379 ± 0.0008 Å
α	90°
β	102.691 ± 0.001°
γ	90°
Cell volume	4449.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.039
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0935
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	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.	1505838.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505838.cif
47779	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505837, 1505838, 1505839, 1505840 via cif-deposit CGI script.	1505838.cif