Crystallography Open Database

Information card for entry 7156890

Preview

Coordinates	7156890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 N O4 S
Calculated formula	C18 H15 N O4 S
Title of publication	Synthesis of β-sulfinyl cyclobutane carboxylic amides via a formal α to β sulphoxide migration process.
Authors of publication	Ghisu, Lorenza; Melis, Nicola; Serusi, Lorenzo; Luridiana, Alberto; Soddu, Francesco; Secci, Francesco; Caboni, Pierluigi; Guillot, Régis; Aitken, David J.; Frongia, Angelo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	25
Pages of publication	6143 - 6147
a	11.4012 ± 0.0008 Å
b	24.6145 ± 0.0017 Å
c	21.8613 ± 0.0017 Å
α	90°
β	90.414 ± 0.003°
γ	90°
Cell volume	6134.9 ± 0.8 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.1308
Residual factor for significantly intense reflections	0.0885
Weighted residual factors for significantly intense reflections	0.1714
Weighted residual factors for all reflections included in the refinement	0.1932
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
225174 (current)	2019-11-08	cif/ Updating files of 7156890 Original log message: Adding full bibliography for 7156890.cif.	7156890.cif
215682	2019-06-04	cif/ Adding structures of 7156890 via cif-deposit CGI script.	7156890.cif