Crystallography Open Database

Information card for entry 1513370

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Structure parameters

Formula	C23 H32 N O5.5
Calculated formula	C23 H32 N O5.5
SMILES	O[C@H]1C([C@H]2[C@@]([C@]3(Oc4c5c(cc(O)c4C3)C(=O)NC5)[C@@H](CC2)C)(C[C@H]1O)C)(C)C.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	10.5137 ± 0.0004 Å
b	13.1195 ± 0.0005 Å
c	15.3947 ± 0.0006 Å
α	90°
β	92.885 ± 0.003°
γ	90°
Cell volume	2120.77 ± 0.14 Å³
Cell temperature	131.6 K
Ambient diffraction temperature	131.6 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	0.0412
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1513370.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.	1513370.cif
129586	2015-01-13	cif/1 Fixing Z values and formulae for several entries	1513370.cif
104245	2014-03-10	cif/ Adding structures of 1513370 via cif-deposit CGI script.	1513370.cif