Crystallography Open Database

Information card for entry 1547853

Preview

Coordinates	1547853.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(-)-Eburnamine
Formula	C19.5 H27 N2 O2
Calculated formula	C19.5 H27 N2 O2
SMILES	n12c3c(c4c1cccc4)CCN1CCC[C@@](C[C@H]2O)(CC)[C@H]31.O.OC
Title of publication	Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.
Authors of publication	Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	11
Pages of publication	3014 - 3024
a	9.0112 ± 0.0003 Å
b	9.8045 ± 0.0005 Å
c	10.2163 ± 0.0004 Å
α	89.964 ± 0.003°
β	78.459 ± 0.003°
γ	76.61 ± 0.004°
Cell volume	859.33 ± 0.06 Å³
Cell temperature	145 ± 1 K
Ambient diffraction temperature	145 ± 1 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
214153 (current)	2019-03-18	cif/1 Fixing Z values and formulae	1547853.cif
203988	2017-12-05	cif/ Updating files of 1547851, 1547852, 1547853, 1547854, 1547855, 1547856, 1547857, 1547858 Original log message: Adding full bibliography for 1547851--1547858.cif.	1547853.cif
202491	2017-11-02	cif/ Adding structures of 1547853 via cif-deposit CGI script.	1547853.cif