Crystallography Open Database

Information card for entry 7159605

Preview

Coordinates	7159605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H20 N4 O3
Calculated formula	C15 H20 N4 O3
Title of publication	Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.
Authors of publication	Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	43
Pages of publication	8708 - 8715
a	16.2851 ± 0.0013 Å
b	5.2346 ± 0.0004 Å
c	18.9492 ± 0.0016 Å
α	90°
β	112.304 ± 0.01°
γ	90°
Cell volume	1494.5 ± 0.2 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288868 (current)	2024-01-06	cif/ Updating files of 7159603, 7159604, 7159605 Original log message: Adding full bibliography for 7159603--7159605.cif.	7159605.cif
287031	2023-10-19	cif/ Adding structures of 7159603, 7159604, 7159605 via cif-deposit CGI script.	7159605.cif