Crystallography Open Database

Information card for entry 4514351

Preview

Coordinates	4514351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 O6
Calculated formula	C20 H26 O6
Title of publication	Direct Stereoselective Installation of Alkyl Fragments at the β-Carbon of Enals via Excited Iminium Ion Catalysis
Authors of publication	Verrier, Charlie; Alandini, Nurtalya; Pezzetta, Cristofer; Moliterno, Mauro; Buzzetti, Luca; Hepburn, Hamish B.; Vega-Peñaloza, Alberto; Silvi, Mattia; Melchiorre, Paolo
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	2
Pages of publication	1062
a	20.0688 ± 0.0003 Å
b	9.57471 ± 0.00012 Å
c	21.8114 ± 0.0003 Å
α	90°
β	113.315 ± 0.0018°
γ	90°
Cell volume	3848.9 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
206124 (current)	2018-02-04	cif/ Updating files of 4514351 Original log message: Adding full bibliography for 4514351.cif.	4514351.cif
205082	2018-01-12	cif/ Adding structures of 4514351 via cif-deposit CGI script.	4514351.cif