Information card for entry 1548515

Structure parameters

• Formula: C20 H20 O6
• Calculated formula: C20 H20 O6
• SMILES: O=Cc1cc2oc1C[C@H](C(=C)C)/C=C/[C@@]13C(=O)O[C@H]([C@@H]1O3)C[C@]1(O[C@H]21)C
• Title of publication: Keikipukalides, Furanocembrane Diterpenes from the Antarctic Deep Sea Octocoral Plumarella delicatissima
• Authors of publication: Thomas, Santana A. L.; von Salm, Jacqueline L.; Clark, Shane; Ferlita, Steve; Nemani, Prasanth; Azhari, Ala; Rice, Christopher A.; Wilson, Nerida G.; Kyle, Dennis E.; Baker, Bill J.
• Journal of publication: Journal of Natural Products
• Year of publication: 2017
• a: 6.747 ± 0.0001 Å
• b: 13.2449 ± 0.0003 Å
• c: 18.87 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1686.29 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No