Crystallography Open Database

Information card for entry 1516008

Preview

Coordinates	1516008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H22 N4 O4
Calculated formula	C23 H22 N4 O4
SMILES	O[C@@]1(c2c(NC1=O)cccc2)C[C@H]1n2c(nc3c(c2=O)cccc3)[C@H](NC1=O)C(C)C
Title of publication	Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41.
Authors of publication	Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai
Journal of publication	Journal of natural products
Year of publication	2013
Journal volume	76
Journal issue	6
Pages of publication	1133 - 1140
a	10.8171 ± 0.0004 Å
b	6.2921 ± 0.0003 Å
c	15.093 ± 0.0005 Å
α	90°
β	96.093 ± 0.003°
γ	90°
Cell volume	1021.46 ± 0.07 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0517
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
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.	1516008.cif
113212	2014-05-08	cif/ Adding structures of 1516008 via cif-deposit CGI script.	1516008.cif