Crystallography Open Database

Information card for entry 7158329

Preview

Coordinates	7158329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 N2 O2
Calculated formula	C22 H26 N2 O2
Title of publication	A Brønsted acid catalyzed tandem reaction for the diastereoselective synthesis of cyclobuta-fused tetrahydroquinoline carboxylic esters.
Authors of publication	Marras, Valentina; Caboni, Pierluigi; Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	41
Pages of publication	8912 - 8916
a	11.1401 ± 0.0003 Å
b	28.7617 ± 0.0007 Å
c	11.7457 ± 0.0003 Å
α	90°
β	90.521 ± 0.001°
γ	90°
Cell volume	3763.26 ± 0.17 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
270497 (current)	2021-11-06	cif/ Updating files of 7158328, 7158329 Original log message: Adding full bibliography for 7158328--7158329.cif.	7158329.cif
269419	2021-10-01	cif/ Adding structures of 7158328, 7158329 via cif-deposit CGI script.	7158329.cif