Crystallography Open Database

Information card for entry 1503321

Preview

Coordinates	1503321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 Cu O5 S
Calculated formula	C10 H12 Cu O5 S
Title of publication	Cu(II)-catalyzed acylation by thiol esters under neutral conditions: tandem acylation-wittig reaction leading to a one-pot synthesis of butenolides.
Authors of publication	Matsuo, Kazumasa; Shindo, Mitsuru
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	22
Pages of publication	5346 - 5349
a	12.191 ± 0.003 Å
b	7.1808 ± 0.0017 Å
c	13.68 ± 0.003 Å
α	90°
β	103.631 ± 0.004°
γ	90°
Cell volume	1163.8 ± 0.5 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1503321.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503321.cif
37196	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503321 via cif-deposit CGI script.	1503321.cif