Crystallography Open Database

Information card for entry 1513369

Preview

Coordinates	1513369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 N O5.5
Calculated formula	C23 H30 N O5.5
SMILES	C[C@@H]1CC[C@@H]2[C@]([C@]31Cc1c(O3)c3C(=O)NC(=O)c3cc1O)(C)CC[C@H](C2(C)C)O.O
Title of publication	Chartarlactams A-P, Phenylspirodrimanes from the Sponge-Associated Fungus Stachybotrys chartarum with Antihyperlipidemic Activities.
Authors of publication	Li, Yong; Wu, Chongming; Liu, Dong; Proksch, Peter; Guo, Peng; Lin, Wenhan
Journal of publication	Journal of natural products
Year of publication	2014
Journal volume	77
Journal issue	1
Pages of publication	138 - 147
a	29.5456 ± 0.0011 Å
b	7.8704 ± 0.0003 Å
c	8.8858 ± 0.0003 Å
α	90°
β	96.335 ± 0.004°
γ	90°
Cell volume	2053.65 ± 0.13 Å³
Cell temperature	103.5 K
Ambient diffraction temperature	103.5 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1513369.cif
104244	2014-03-10	cif/ Adding structures of 1513369 via cif-deposit CGI script.	1513369.cif