Crystallography Open Database

Information card for entry 7156931

Preview

Coordinates	7156931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Br N O9
Calculated formula	C26 H22 Br N O9
Title of publication	[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.
Authors of publication	Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	28
Pages of publication	6821 - 6830
a	11.2685 ± 0.0006 Å
b	18.6581 ± 0.0007 Å
c	12.8795 ± 0.0008 Å
α	90°
β	111.426 ± 0.007°
γ	90°
Cell volume	2520.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
225028 (current)	2019-11-08	cif/ Updating files of 7156931, 7156932, 7156933, 7156934 Original log message: Adding full bibliography for 7156931--7156934.cif.	7156931.cif
216490	2019-06-22	cif/ Adding structures of 7156931, 7156932, 7156933, 7156934 via cif-deposit CGI script.	7156931.cif