Information card for entry 1507344

Structure parameters

• Formula: C23 H24 O10
• Calculated formula: C23 H24 O10
• SMILES: O[C@@H]1[C@H]2[C@@H](C[C@@H](OC(=O)C)[C@]34O[C@H]3[C@@H](OC4=O)C[C@]3(O[C@@H]3c3oc2c(c3)C(=O)OC)C)C1=C
• Title of publication: Isolation and structure of providencin: a highly oxygenated diterpene possessing a unique bicyclo[12.2.0]hexadecane ring system from the sea plume Pseudopterogorgia kallos.
• Authors of publication: Marrero, Jeffrey; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 14
• Pages of publication: 2551 - 2554
• a: 9.0609 ± 0.0013 Å
• b: 9.6281 ± 0.0014 Å
• c: 24.8 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2163.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1244
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No