Information card for entry 1519998

Structure parameters

• Formula: C20 H30 N0 O5
• Calculated formula: C20 H30 O5
• SMILES: O1[C@@]2([C@H]([C@]([C@@H]3[C@H](OC(=O)C3(C)C)C2)(C)CC(=O)O)CC[C@@]1(C=C)C)C
• Title of publication: Epimeric Excolides from the Stems of Excoecaria agallocha and Structural Revision of Rhizophorin A.
• Authors of publication: Annam, S Ch V Appa Rao; Ankireddy, Madhu; Sura, Madhu Babu; Ponnapalli, Mangala Gowri; Sarma, Akella V. S.; S, Jeelani Basha
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 2840 - 2843
• a: 7.0685 ± 0.0016 Å
• b: 15.143 ± 0.003 Å
• c: 17.388 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1861.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0455
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No