Information card for entry 2009141

Structure parameters

• Formula: C30 H50
• Calculated formula: C30 H50
• SMILES: C1CC=C([C@]2(CC[C@H]3[C@]([C@H]12)(CC[C@@]1([C@@]3(CC[C@]2([C@H]1CC[C@@H]2C(C)C)C)C)C)C)C)C
• Title of publication: Filic-3-ene, a pentacyclic triterpene from <i>Davallia canariensis</i>
• Authors of publication: González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Hernández Silva, Margarita; García, Candelaria; Alfayate, M. Carmen; Bermejo, Jaime
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1835 - 1837
• a: 11.015 ± 0.002 Å
• b: 7.678 ± 0.003 Å
• c: 30.045 ± 0.004 Å
• α: 90°
• β: 99.02 ± 0.01°
• γ: 90°
• Cell volume: 2509.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1598
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No