Crystallography Open Database

Information card for entry 7156768

Preview

Coordinates	7156768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H8 O3 S
Calculated formula	C11 H8 O3 S
Title of publication	Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.
Authors of publication	Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	20
Pages of publication	4990 - 5000
a	16.1338 ± 0.0003 Å
b	8.5259 ± 0.0001 Å
c	14.364 ± 0.0002 Å
α	90°
β	114.544 ± 0.0008°
γ	90°
Cell volume	1797.31 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.0358
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
225190 (current)	2019-11-08	cif/ Updating files of 7156762, 7156763, 7156764, 7156765, 7156766, 7156767, 7156768 Original log message: Adding full bibliography for 7156762--7156768.cif.	7156768.cif
214441	2019-04-02	cif/ Adding structures of 7156762, 7156763, 7156764, 7156765, 7156766, 7156767, 7156768 via cif-deposit CGI script.	7156768.cif