Crystallography Open Database

Information card for entry 7158340

Preview

Coordinates	7158340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H14 F3 N3 O7
Calculated formula	C21 H14 F3 N3 O7
SMILES	FC(F)(F)C1(NC(=O)n2c(=O)c3ccc(N(=O)=O)cc3c(c12)c1ccc(OC)cc1)C(=O)OC
Title of publication	Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.
Authors of publication	Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	43
Pages of publication	9421 - 9426
a	18.8139 ± 0.0012 Å
b	13.3867 ± 0.0006 Å
c	15.4997 ± 0.0009 Å
α	90°
β	100.572 ± 0.003°
γ	90°
Cell volume	3837.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.094
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1195
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271217 (current)	2021-12-07	cif/ Updating files of 7158340, 7158341, 7158342 Original log message: Adding full bibliography for 7158340--7158342.cif.	7158340.cif
269965	2021-10-15	cif/ Adding structures of 7158340, 7158341, 7158342 via cif-deposit CGI script.	7158340.cif