Crystallography Open Database

Information card for entry 7156765

Preview

Coordinates	7156765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 N2 O3
Calculated formula	C19 H14 N2 O3
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	16.7044 ± 0.0015 Å
b	4.7039 ± 0.0004 Å
c	18.5969 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1461.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	7156765.cif
214441	2019-04-02	cif/ Adding structures of 7156762, 7156763, 7156764, 7156765, 7156766, 7156767, 7156768 via cif-deposit CGI script.	7156765.cif