Crystallography Open Database

Information card for entry 1547128

Preview

Coordinates	1547128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 N O6.5
Calculated formula	C17 H24 N O6.5
SMILES	O([C@@H]1[C@@H](O)[C@@H]2[C@@H]3N(=O)(Cc4cc(OC)c(O)cc24)CCC3=C1)C.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	25.998 ± 0.002 Å
b	12.1491 ± 0.0011 Å
c	11.3547 ± 0.0011 Å
α	90°
β	103.78 ± 0.005°
γ	90°
Cell volume	3483.2 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0679
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.1682
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
217633 (current)	2019-08-21	cif/1: Fixing Z values and formulae	1547128.cif
201749	2017-10-05	cif/ Updating files of 1547128, 1547129 Original log message: Adding full bibliography for 1547128--1547129.cif.	1547128.cif
200791	2017-09-13	cif/ Adding structures of 1547128 via cif-deposit CGI script.	1547128.cif