Information card for entry 1502558

Structure parameters

• Formula: C19 H22 O4
• Calculated formula: C19 H22 O4
• SMILES: O=C1O[C@@H]2C=C1CC[C@H]([C@H](O)c1oc(C=C(C2)C)cc1)C(=C)C.O=C1O[C@H]2C=C1CC[C@@H]([C@@H](O)c1oc(C=C(C2)C)cc1)C(=C)C
• Title of publication: Total synthesis of norcembrenolide B and scabrolide D.
• Authors of publication: Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 5854 - 5857
• a: 6.434 ± 0.0007 Å
• b: 14.8481 ± 0.0016 Å
• c: 16.841 ± 0.002 Å
• α: 80.523 ± 0.009°
• β: 86.191 ± 0.009°
• γ: 86.07 ± 0.009°
• Cell volume: 1580.7 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No