Crystallography Open Database

Information card for entry 1516493

Preview

Coordinates	1516493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 N O6
Calculated formula	C20 H23 N O6
SMILES	O1COC2=C1CC1=C(C2)[C@@H]2O[C@@]3(OC)[C@@]4(N(CC[C@@]14CC(=O)[C@@H]3OC)C)C2
Title of publication	Periglaucines A-D, anti-HBV and -HIV-1 alkaloids from Pericampylus glaucus.
Authors of publication	Yan, Meng-Hong; Cheng, Pi; Jiang, Zhi-Yong; Ma, Yun-Bao; Zhang, Xue-Mei; Zhang, Feng-Xue; Yang, Liu-Meng; Zheng, Yong-Tang; Chen, Ji-Jun
Journal of publication	Journal of natural products
Year of publication	2008
Journal volume	71
Journal issue	5
Pages of publication	760 - 763
a	11.2062 ± 0.0013 Å
b	12.595 ± 0.0014 Å
c	12.8803 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1818 ± 0.4 Å³
Cell temperature	571 ± 2 K
Ambient diffraction temperature	571 ± 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	0.0968
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.18
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516493.cif
115451	2014-06-03	cif/ Adding structures of 1516493 via cif-deposit CGI script.	1516493.cif