Information card for entry 7152407

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 ų
• 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 Fobs: No