Information card for entry 1557297

Structure parameters

• Formula: C23 H19 N3 O5
• Calculated formula: C23 H19 N3 O5
• SMILES: O=C1N(N=C([C@]21OC=C([C@]12c2c(N(C1=O)C)cccc2)C(=O)OC)C)c1ccccc1
• Title of publication: Access to highly enantioselective and diastereoselective spirooxindole dihydrofuran fused pyrazolones.
• Authors of publication: Warghude, Prakash K.; Sabale, Abhijeet S.; Bhat, Ramakrishna G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 1794 - 1799
• a: 11.2231 ± 0.0013 Å
• b: 8.1552 ± 0.0009 Å
• c: 11.9835 ± 0.0014 Å
• α: 90°
• β: 115.45 ± 0.005°
• γ: 90°
• Cell volume: 990.4 ± 0.2 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: 0.0421
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No