Information card for entry 1548516

Structure parameters

• Formula: C22 H24 O7
• Calculated formula: C22 H24 O7
• SMILES: o1c2cc(c1C[C@@H](C[C@@H](OC(=O)C)C1=C[C@@H](OC1=O)C[C@]1(O[C@H]21)C)C(=C)C)C=O
• 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: 8.7671 ± 0.0002 Å
• b: 11.4162 ± 0.0003 Å
• c: 19.4875 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1950.44 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 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: 0.0401
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No