Information card for entry 2001918

Structure parameters

• Formula: C30 H46 O4
• Calculated formula: C30 O4
• SMILES: O=C[C@@H]1[C@@H](O)C([C@H]2[C@@]1(C)[C@H]1CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@]1([C@@H]3[C@@H](CC1)C(C)C)C(=O)O)(C)C
• Title of publication: Structure of zizyberannalic acid
• Authors of publication: Sekar, K.; Parthasarathy, S.; Kundu, A. B.; Barik, B. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 616 - 618
• a: 17.002 ± 0.002 Å
• b: 18.399 ± 0.002 Å
• c: 10.056 ± 0.001 Å
• α: 90°
• β: 119.21 ± 0.02°
• γ: 90°
• Cell volume: 2745.7 ± 0.7 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 1.918
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No