Information card for entry 2205891

Structure parameters

• Common name: Incanilin
• Chemical name: (20S,24R)-Incanilin
• Formula: C30 H48 O4
• Calculated formula: C30 H48 O4
• SMILES: O=C1CC[C@]2([C@H](C1(C)C)CCC1=C2CC[C@]2([C@]1(C[C@H](O)[C@@H]2[C@]1(O[C@H](CC1)C(O)(C)C)C)C)C)C
• Title of publication: Incaniline (isoargentatin A) from <i>Parthenium argentatum</i>
• Authors of publication: Hernández-Ortega, Simón; Parra Delgado, Hortensia; Martínez, Mariano
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1921 - o1923
• a: 13.9158 ± 0.0007 Å
• b: 14.8078 ± 0.0008 Å
• c: 26.3807 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5436.1 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No