Crystallography Open Database

Information card for entry 7112210

Preview

Coordinates	7112210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 F O3 S
Calculated formula	C21 H16 F O3 S
Title of publication	[3+3] Annulation of donor-acceptor cyclopropanes with mercaptoacetaldehyde: application to the synthesis of tetrasubstituted thiophenes
Authors of publication	Gopal Sathishkannan; Kannupal Srinivasan
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	4062
a	9.1 ± 0.0001 Å
b	9.215 ± 0.0001 Å
c	11.423 ± 0.0002 Å
α	81.718 ± 0.001°
β	70.637 ± 0.001°
γ	77.634 ± 0.001°
Cell volume	879.97 ± 0.02 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180236 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/22.	7112210.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112210.cif
108186	2014-03-28	cif/ Adding structures of 7112209, 7112210 via cif-deposit CGI script.	7112210.cif