Crystallography Open Database

Information card for entry 1508839

Preview

Coordinates	1508839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 O5
Calculated formula	C15 H22 O5
SMILES	O1[C@@]2(O[C@@H]3[C@@H](O)[C@@](O)(CC[C@@H]3C2=C)C)C(=O)CC1(C)C
Title of publication	Pleurospiroketals A-E, Perhydrobenzannulated 5,5-Spiroketal Sesquiterpenes from the Edible Mushroom Pleurotus cornucopiae.
Authors of publication	Wang, Shao-Juan; Bao, Li; Han, Jun-Jie; Wang, Quan-Xin; Yang, Xiao-Li; Wen, Hua-An; Guo, Liang-Dong; Li, Shao-Jie; Zhao, Feng; Liu, Hong-Wei
Journal of publication	Journal of natural products
Year of publication	2013
Journal volume	76
Journal issue	1
Pages of publication	45 - 50
a	9.8904 ± 0.0001 Å
b	10.0215 ± 0.0001 Å
c	15.205 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1507.07 ± 0.03 Å³
Cell temperature	155 K
Ambient diffraction temperature	155 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0331
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
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.	1508839.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508839.cif
73992	2013-02-21	cif/ Adding structures of 1508839 via cif-deposit CGI script.	1508839.cif