Crystallography Open Database

Information card for entry 7156263

Preview

Coordinates	7156263.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Febrifugine
Chemical name	Febrifugine
Formula	C16 H19 N3 O3
Calculated formula	C16 H19 N3 O3
Title of publication	A convergent strategy towards febrifugine and related compounds.
Authors of publication	Maiden, T. M. M.; Mbelesi, N.; Procopiou, P. A.; Swanson, S.; Harrity, J. P. A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	22
Pages of publication	4159 - 4169
a	10.2591 ± 0.0006 Å
b	9.6617 ± 0.0005 Å
c	30.5377 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3026.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1345
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0889
Goodness-of-fit parameter for all reflections included in the refinement	1.517
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
230598 (current)	2019-11-17	cif/ Updating files of 7156263 Original log message: Adding full bibliography for 7156263.cif.	7156263.cif
207783	2018-05-15	cif/ Adding structures of 7156263 via cif-deposit CGI script.	7156263.cif