Crystallography Open Database

Information card for entry 7152407

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Structure parameters

Formula	C20 H30 O2
Calculated formula	C20 H30 O2
SMILES	C1CCC([C@@H]2CC[C@]34[C@@H]([C@@]12C(=O)O4)CCC(=C3)C(C)C)(C)C
Title of publication	Rubesanolides C-E: abietane diterpenoids isolated from Isodon rubescens and evaluation of their anti-biofilm activity.
Authors of publication	Zou, Juan; Pan, Lutai; Li, Qiji; Pu, Jianxin; Yao, Ping; Zhu, Min; Banas, Jeffrey A.; Zhang, Hongjie; Sun, Handong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	26
Pages of publication	5039 - 5044
a	7.8579 ± 0.0009 Å
b	10.1629 ± 0.0011 Å
c	11.0489 ± 0.0012 Å
α	90°
β	90.616 ± 0.004°
γ	90°
Cell volume	882.3 ± 0.17 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	0.054
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7152407.cif
180310	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/24.	7152407.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152407.cif
62950	2012-07-09	cif/ Adding structures of 7152407, 7152408 via cif-deposit CGI script.	7152407.cif