Crystallography Open Database

Information card for entry 1505224

Preview

Coordinates	1505224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H49 N5 O9
Calculated formula	C30 H49 N5 O9
SMILES	CC(C[C@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](OC1=O)CC(C)C)C(C)C)C.O.O
Title of publication	Cyclic peptides from an endophytic fungus obtained from a mangrove leaf (Kandelia candel).
Authors of publication	Huang, Huarong; She, Zhigang; Lin, Yongcheng; Vrijmoed, L. L. P.; Lin, Wenhan
Journal of publication	Journal of natural products
Year of publication	2007
Journal volume	70
Journal issue	11
Pages of publication	1696 - 1699
a	7.089 ± 0.003 Å
b	28.71 ± 0.014 Å
c	8.77 ± 0.004 Å
α	90°
β	103.606 ± 0.007°
γ	90°
Cell volume	1734.8 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1023
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1643
Weighted residual factors for all reflections included in the refinement	0.1825
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287882 (current)	2023-11-30	cif/1/50/52/ Removed extra trailing question marks ('?') from data names in entries 1505223, 1505224.	1505224.cif
176729	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.	1505224.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505224.cif
45433	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505223, 1505224 via cif-deposit CGI script.	1505224.cif