Crystallography Open Database

Information card for entry 7239730

Preview

Coordinates	7239730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 N4 O7
Calculated formula	C17 H24 N4 O7
Title of publication	Electroactivated alkylation of amines with alcohols via both direct and indirect borrowing hydrogen mechanisms
Authors of publication	Appiagyei, Benjamin; Bhatia, Souful; Keeney, Gabriela L.; Dolmetsch, Troy; Jackson, James E.
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	3
Pages of publication	860 - 869
a	7.1396 ± 0.0018 Å
b	15.021 ± 0.004 Å
c	17.652 ± 0.005 Å
α	90°
β	96.825 ± 0.004°
γ	90°
Cell volume	1879.7 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.1038
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1688
Weighted residual factors for all reflections included in the refinement	0.2027
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257628 (current)	2020-10-06	cif/ Updating files of 7239730 Original log message: Adding full bibliography for 7239730.cif.	7239730.cif
248996	2020-03-05	cif/ Updating files of 7239730 Original log message: Adding full bibliography for 7239730.cif.	7239730.cif
246560	2020-01-04	cif/ Adding structures of 7239730 via cif-deposit CGI script.	7239730.cif