Information card for entry 7153114

Structure parameters

• Formula: C19 H17 N3 O3
• Calculated formula: C19 H17 N3 O3
• SMILES: N12[C@H]([C@]3(C[C@@H]1C(=O)OCC)C(=O)Nc1ccccc31)C=CC(=C2)C#N.N12[C@@H]([C@@]3(C[C@H]1C(=O)OCC)C(=O)Nc1ccccc31)C=CC(=C2)C#N
• Title of publication: Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides.
• Authors of publication: Day, Jonathan; Uroos, Maliha; Castledine, Richard A.; Lewis, William; McKeever-Abbas, Ben; Dowden, James
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 38
• Pages of publication: 6502 - 6509
• a: 8.8865 ± 0.0005 Å
• b: 9.3125 ± 0.0003 Å
• c: 10.946 ± 0.0005 Å
• α: 90.733 ± 0.003°
• β: 112.772 ± 0.005°
• γ: 97.43 ± 0.004°
• Cell volume: 826.26 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No