Crystallography Open Database

Information card for entry 1516006

Preview

Coordinates	1516006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H30 N4 O7
Calculated formula	C29 H30 N4 O7
SMILES	O(C(=O)C)[C@@H](C(C)C)c1n([C@H]2C(=O)O[C@@]3([C@@H]4N(O)C(C(=O)N4c4c3cccc4)(C)C)C2)c(=O)c2c(n1)cccc2
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	9.581 ± 0.0001 Å
b	10.936 ± 0.0001 Å
c	26.3804 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2764.08 ± 0.04 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 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	0.0289
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	1516006.cif
113210	2014-05-08	cif/ Adding structures of 1516006 via cif-deposit CGI script.	1516006.cif