Crystallography Open Database

Information card for entry 1513368

Preview

Coordinates	1513368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31.5 N O4.5
Calculated formula	C23 H32 N O4.5
SMILES	C[C@@H]1CC[C@@H]2[C@]([C@]31Cc1c(O3)c3C(=O)NCc3cc1O)(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	29.934 ± 0.007 Å
b	7.8815 ± 0.0016 Å
c	8.732 ± 0.003 Å
α	90°
β	98.3 ± 0.03°
γ	90°
Cell volume	2038.5 ± 1 Å³
Cell temperature	104.3 K
Ambient diffraction temperature	104.3 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	0.1754
Residual factor for significantly intense reflections	0.1407
Weighted residual factors for significantly intense reflections	0.3467
Weighted residual factors for all reflections included in the refinement	0.377
Goodness-of-fit parameter for all reflections included in the refinement	1.754
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.	1513368.cif
104243	2014-03-10	cif/ Adding structures of 1513368 via cif-deposit CGI script.	1513368.cif