Information card for entry 2230532

Structure parameters

• Common name: Rauniticine-<i>allo</i>-oxindole B methanol monosolvate
• Chemical name: 2-oxo-1,2,2',3',5',5'a,6',9'a,10',10'a-decahydrospiro[indole-3,1'- pyrano[3,4-<i>f</i>]indolizine]-9'-carboxylic acid methanol monosolvate
• Formula: C21 H26 N2 O5
• Calculated formula: C21 H26 N2 O5
• SMILES: OC(=O)C1=CO[C@@H](C)[C@@H]2CN3[C@@H](C[C@H]12)[C@]1(CC3)C(=O)Nc2ccccc12.OC
• Title of publication: Rauniticine-<i>allo</i>-oxindole B methanol monosolvate
• Authors of publication: Salim, Fatimah; Ahmad, Rohaya; Ismail, Nor Hadiani; Hazni, Hazrina; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1345
• a: 9.233 ± 0.0003 Å
• b: 7.211 ± 0.0002 Å
• c: 14.7678 ± 0.0004 Å
• α: 90°
• β: 99.313 ± 0.003°
• γ: 90°
• Cell volume: 970.27 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0435
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes