Crystallography Open Database

Information card for entry 1517272

Preview

Coordinates	1517272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 O7
Calculated formula	C26 H24 O7
SMILES	C12([C@H]3C(=CCC1)C(=O)[C@H]1[C@@H]([C@H]3O)O[C@@H]([C@@]31CCC(=O)O3)C)Oc1c3c(ccc1)cccc3O2
Title of publication	Rhytidenones A-F, Spirobisnaphthalenes from Rhytidhysteron sp. AS21B, an Endophytic Fungus.
Authors of publication	Pudhom, Khanitha; Teerawatananond, Thapong
Journal of publication	Journal of natural products
Year of publication	2014
Journal volume	77
Journal issue	8
Pages of publication	1962
a	7.7279 ± 0.0012 Å
b	7.7892 ± 0.0009 Å
c	17.775 ± 0.003 Å
α	90°
β	92.256 ± 0.005°
γ	90°
Cell volume	1069.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0546
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1517272.cif
123056	2014-09-06	cif/ Updating files of 1517272 Original log message: Adding full bibliography for 1517272.cif.	1517272.cif
121074	2014-08-02	cif/ Adding structures of 1517272 via cif-deposit CGI script.	1517272.cif