Information card for entry 2011847

Structure parameters

• Common name: isopteropodine
• Chemical name: (1'S,3S,4'aS,5'aS,10'aS)-1,2,5',5'a,7',8', 10',10'a-octahydro -1'-methyl-2-oxo-spiro[3H-indole-3,6'(4'aH)-[1H]pyrano[3,4-f] indolizine]-4'-carboxylic acid methyl ester
• Formula: C21 H24 N2 O4
• Calculated formula: C21 H24 N2 O4
• SMILES: O=C1Nc2c([C@]31[C@H]1N(CC3)C[C@@H]3[C@H](C1)C(=CO[C@H]3C)C(=O)OC)cccc2
• Title of publication: Two stereoisomeric pentacyclic oxindole alkaloids from <i>Uncaria tomentosa</i>: uncarine C and uncarine E
• Authors of publication: Muhammad, Ilias; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 480 - 482
• a: 10.9943 ± 0.0008 Å
• b: 21.062 ± 0.003 Å
• c: 12.3039 ± 0.0015 Å
• α: 90°
• β: 96.86 ± 0.006°
• γ: 90°
• Cell volume: 2828.7 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No