Crystallography Open Database

Information card for entry 1543448

Preview

Coordinates	1543448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 N O4.5
Calculated formula	C16 H22 N O4.5
SMILES	[C@H]12C[C@H](CC[C@@]31[C@H](CN(Cc1ccc(c(c31)O2)O)C)O)O.O
Title of publication	Galanthamine, Plicamine, and Secoplicamine Alkaloids from Zephyranthes candida and Their Anti-acetylcholinesterase and Anti-inflammatory Activities.
Authors of publication	Zhan, Guanqun; Zhou, Junfei; Liu, Rong; Liu, Tingting; Guo, Guoli; Wang, Jianping; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Zhang, Yonghui; Yao, Guangmin
Journal of publication	Journal of natural products
Year of publication	2016
Journal volume	79
Journal issue	4
Pages of publication	760 - 766
a	8.0372 ± 0.0001 Å
b	15.6818 ± 0.0002 Å
c	22.5648 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2844.02 ± 0.06 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1976
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Duplicate of	1542563
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287519 (current)	2023-11-10	cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46	1543448.cif
214153	2019-03-18	cif/1 Fixing Z values and formulae	1543448.cif
183539	2016-06-16	cif/ Adding structures of 1543448 via cif-deposit CGI script.	1543448.cif