Crystallography Open Database

Information card for entry 1547129

Preview

Coordinates	1547129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H29 N O8
Calculated formula	C18 H29 N O8
SMILES	[C@H]1([C@H](C=C2CCN3(Cc4cc(c(cc4[C@H]1[C@@H]23)OC)OC)=O)OC)O.O.O.O
Title of publication	Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata.
Authors of publication	Zhan, Guanqun; Zhou, Junfei; Liu, Junjun; Huang, Jinfeng; Zhang, Hanqi; Liu, Rong; Yao, Guangmin
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	9
Pages of publication	2462 - 2471
a	9.535 ± 0.0003 Å
b	7.4498 ± 0.0002 Å
c	14.7161 ± 0.0004 Å
α	90°
β	103.488 ± 0.001°
γ	90°
Cell volume	1016.51 ± 0.05 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
201749 (current)	2017-10-05	cif/ Updating files of 1547128, 1547129 Original log message: Adding full bibliography for 1547128--1547129.cif.	1547129.cif
200792	2017-09-13	cif/ Adding structures of 1547129 via cif-deposit CGI script.	1547129.cif