Information card for entry 2000358

Structure parameters

• Formula: C22 H32 O5
• Calculated formula: C22 H32 O5
• SMILES: CC(=O)O[C@@H]1O[C@@H]2[C@H]([C@H]1CC(=O)O2)C(=C)[C@H]1CC[C@@H]2[C@]1(C)CCCC2(C)C
• Title of publication: Structure of chelonaplysin C: a spongian diterpenoid from nudibranch <i>Chromodoris luteorosea</i>
• Authors of publication: Puliti, R.; Gavagnin, M.; Cimino, G.; Mattia, C. A.; Mazzarella, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 2145 - 2147
• a: 8.3737 ± 0.0008 Å
• b: 10.6469 ± 0.0008 Å
• c: 22.429 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1999.6 ± 0.3 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No