Crystallography Open Database

Information card for entry 7240050

Preview

Coordinates	7240050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H11 N O4
Calculated formula	C9 H11 N O4
SMILES	O1/C(=C/C(=O)OC)[C@H]2N(C1=O)CCC2
Title of publication	Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues
Authors of publication	Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	12
Pages of publication	6790 - 6793
a	7.2347 ± 0.0002 Å
b	12.4282 ± 0.0002 Å
c	20.6075 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1852.91 ± 0.07 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258141 (current)	2020-10-06	cif/ Updating files of 7240050, 7240051, 7240052 Original log message: Adding full bibliography for 7240050--7240052.cif.	7240050.cif
248790	2020-03-05	cif/ Adding structures of 7240050, 7240051, 7240052 via cif-deposit CGI script.	7240050.cif