Crystallography Open Database

Information card for entry 1518868

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Structure parameters

Formula	C20 H20 O6
Calculated formula	C20 H20 O6
SMILES	C1C[C@@]2(O)[C@@]3(C)[C@@H]4[C@H](OC3=O)Cc3c([C@@]14CO2)cc(c1c3occ1)OC
Title of publication	17-Norpimaranes and (9βH)-17-Norpimaranes from the Tuber of Icacina trichantha.
Authors of publication	Zhao, Ming; Onakpa, Michael Monday; Chen, Wei-Lun; Santarsiero, Bernard D.; Swanson, Steven M.; Burdette, Joanna E.; Asuzu, Isaac Uzoma; Che, Chun-Tao
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	4
Pages of publication	789 - 796
a	6.2991 ± 0.0002 Å
b	10.5035 ± 0.0004 Å
c	24.7572 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1638 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.033
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1.206
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
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.	1518868.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.	1518868.cif
138265	2015-06-05	cif/ Updating files of 1518868 Original log message: Adding full bibliography for 1518868.cif.	1518868.cif
134077	2015-03-19	cif/ Adding structures of 1518868 via cif-deposit CGI script.	1518868.cif