Crystallography Open Database

Information card for entry 7152766

Preview

Coordinates	7152766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 O2 S
Calculated formula	C16 H14 O2 S
Title of publication	Pd-catalyzed Suzuki coupling reaction of chloroalkylidene-β-lactones with LB-Phos as the ligand.
Authors of publication	Li, Pengbin; Lü, Bo; Fu, Chunling; Ma, Shengming
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	1
Pages of publication	98 - 109
a	9.3629 ± 0.0006 Å
b	16.608 ± 0.0008 Å
c	9.8929 ± 0.0005 Å
α	90°
β	115.25 ± 0.007°
γ	90°
Cell volume	1391.36 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1807
Weighted residual factors for all reflections included in the refinement	0.2043
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180313 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/27.	7152766.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152766.cif
73759	2013-02-21	cif/ Adding structures of 7152765, 7152766 via cif-deposit CGI script.	7152766.cif