Crystallography Open Database

Information card for entry 1517805

Preview

Coordinates	1517805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 N4 O4
Calculated formula	C25 H24 N4 O4
SMILES	O=C1N2CCC[C@H]2C(=O)Nc2c(cccc2)C(=O)n2cc(c3ccccc23)C[C@@H]1NC(=O)C
Title of publication	Psychrophilins E-H and Versicotide C, Cyclic Peptides from the Marine-Derived Fungus Aspergillus versicolor ZLN-60.
Authors of publication	Peng, Jixing; Gao, Huquan; Zhang, Xiaomin; Wang, Shuai; Wu, Chongming; Gu, Qianqun; Guo, Peng; Zhu, Tianjiao; Li, Dehai
Journal of publication	Journal of natural products
Year of publication	2014
Journal volume	77
Journal issue	10
Pages of publication	2218 - 2223
a	12.3961 ± 0.0001 Å
b	12.9688 ± 0.0001 Å
c	13.7957 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2217.83 ± 0.03 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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	0.0278
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	1517805.cif
127118	2014-11-12	cif/ Updating files of 1517805 Original log message: Adding full bibliography for 1517805.cif.	1517805.cif
124117	2014-09-23	cif/ Adding structures of 1517805 via cif-deposit CGI script.	1517805.cif