Crystallography Open Database

Information card for entry 1503447

Preview

Coordinates	1503447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H36 O4
Calculated formula	C25 H36 O4
SMILES	[C@@H]12C=C(C(=O)C[C@@H]1C(=C[C@H]([C@H]1[C@](C=C[C@H]3C(CCC[C@]13C)(C)C)(C)O)O2)CO)C
Title of publication	Ansellone A, a sesterterpenoid isolated from the nudibranch Cadlina luteromarginata and the sponge Phorbas sp., activates the cAMP signaling pathway.
Authors of publication	Daoust, Julie; Fontana, Angelo; Merchant, Catherine E.; de Voogd, Nicole J.; Patrick, Brian O.; Kieffer, Timothy J.; Andersen, Raymond J.
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	14
Pages of publication	3208 - 3211
a	7.4731 ± 0.0002 Å
b	11.0807 ± 0.0003 Å
c	13.9955 ± 0.0004 Å
α	90°
β	105.044 ± 0.001°
γ	90°
Cell volume	1119.21 ± 0.05 Å³
Cell temperature	90 ± 0.1 K
Ambient diffraction temperature	90 ± 0.1 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	1503447.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503447.cif
37314	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503447 via cif-deposit CGI script.	1503447.cif