Information card for entry 2205463

Structure parameters

• Common name: Isocrotocaudin
• Chemical name: ent-(8S,10R)-15,16-epoxy-19-norcleroda-4,11,13(16),14-tetraene- 18,6(R):20,12-diolactone
• Formula: C19 H18 O5
• Calculated formula: C19 H18 O5
• SMILES: o1ccc(C2=C[C@@]3([C@H](C[C@H]4OC(=O)C5=C4[C@H]3CCC5)C)C(=O)O2)c1
• Title of publication: <i>ent</i>-(8<i>S</i>,10<i>R</i>)-15,16-Epoxy-19-norcleroda-4,11,13(16),14-tetraene-18,6(<i>R</i>):20,12-diolactone (isocrotocaudin)
• Authors of publication: Said, Ikram M.; Noor, Ainal F. A.; Syah, Yana M.; Latif, Jalifah; Ngah, Nurziana; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1035 - o1037
• a: 6.677 ± 0.002 Å
• b: 10.794 ± 0.003 Å
• c: 22.608 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1629.4 ± 0.8 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: 0.068
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes