Information card for entry 1507742

Structure parameters

• Common name: Furanocembranolide-1
• Formula: C23 H26 O7
• Calculated formula: C23 H26 O7
• SMILES: O=C1O[C@@H]2C=C1[C@H](OC(=O)C)C[C@H](Cc1oc(C=C(C2)C)cc1C(=O)OC)C(=C)C
• Title of publication: Application of the rodriguez-pattenden photo-ring contraction: total synthesis and configurational reassignment of 11-gorgiacerol and 11-epigorgiacerol.
• Authors of publication: Weinstabl, Harald; Gaich, Tanja; Mulzer, Johann
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 2834 - 2837
• a: 6.4244 ± 0.0004 Å
• b: 10.3175 ± 0.0006 Å
• c: 16.0232 ± 0.001 Å
• α: 90°
• β: 90.012 ± 0.003°
• γ: 90°
• Cell volume: 1062.08 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.082
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No