Information card for entry 1502561

Structure parameters

• Formula: C19 H24 O5
• Calculated formula: C19 H24 O5
• SMILES: O=C1O[C@@H]2C=C1CC[C@H](Cc1oc([C@H](O)[C@](O)(C2)C)cc1)C(=C)C.O=C1O[C@H]2C=C1CC[C@@H](Cc1oc([C@@H](O)[C@@](O)(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: 10.1514 ± 0.0005 Å
• b: 18.0417 ± 0.0011 Å
• c: 18.4086 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3371.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No