Information card for entry 1504234

Structure parameters

• Formula: C18 H26 O3
• Calculated formula: C18 H26 O3
• SMILES: O1[C@@]23[C@]4([C@@H](CCC(=C2)C(C)C)C)[C@@H](C[C@H]([C@]3(O)C)C4)C1=O
• Title of publication: Nanolobatolide, a new C18 metabolite from the Formosan soft coral Sinularia nanolobata.
• Authors of publication: Tseng, Yen-Ju; Wen, Zhi-Hong; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 5030 - 5032
• a: 6.7635 ± 0.0011 Å
• b: 13.1016 ± 0.0023 Å
• c: 9.4936 ± 0.0016 Å
• α: 90°
• β: 99.898 ± 0.014°
• γ: 90°
• Cell volume: 828.7 ± 0.2 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: 0.0844
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No