Crystallography Open Database

Information card for entry 1514364

Preview

Coordinates	1514364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H57 N5 O9
Calculated formula	C36 H57 N5 O9
SMILES	N12[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@H](C2=O)CC(C)C)CC(C)C)C)C(C)C)C)Cc2ccc(O)cc2)CCC1.O
Title of publication	Cyclohexadepsipeptides of the Isaridin Class from the Marine-Derived Fungus Beauveria felina EN-135.
Authors of publication	Du, Feng-Yu; Zhang, Peng; Li, Xiao-Ming; Li, Chun-Shun; Cui, Chuan-Ming; Wang, Bin-Gui
Journal of publication	Journal of natural products
Year of publication	2014
Journal volume	77
Journal issue	5
Pages of publication	1164
a	10.2134 ± 0.0009 Å
b	15.7979 ± 0.0016 Å
c	24.297 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3920.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2507
Residual factor for significantly intense reflections	0.1008
Weighted residual factors for significantly intense reflections	0.1984
Weighted residual factors for all reflections included in the refinement	0.326
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	1.54178 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.	1514364.cif
115841	2014-06-05	cif/ Updating files of 1514363, 1514364, 1514365 Original log message: Adding full bibliography for 1514363--1514365.cif.	1514364.cif
109979	2014-04-18	cif/ Adding structures of 1514364 via cif-deposit CGI script.	1514364.cif