Crystallography Open Database

Information card for entry 7156881

Preview

Coordinates	7156881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H35 N O6
Calculated formula	C24 H35 N O6
Title of publication	Tandem double acylation/[3,3]-rearrangement of aliphatic nitro compounds: a route to α-oxygenated oxime derivatives.
Authors of publication	Antonova, Yulia A.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu; Ioffe, Sema L.; Tabolin, Andrey A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	24
Pages of publication	5997 - 6006
a	19.9226 ± 0.0004 Å
b	12.6653 ± 0.0003 Å
c	18.9998 ± 0.0004 Å
α	90°
β	101.605 ± 0.001°
γ	90°
Cell volume	4696.13 ± 0.18 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
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	0.0381
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.0336
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225035 (current)	2019-11-08	cif/ Updating files of 7156881 Original log message: Adding full bibliography for 7156881.cif.	7156881.cif
215599	2019-05-30	cif/ Adding structures of 7156881 via cif-deposit CGI script.	7156881.cif