Information card for entry 1512314

Structure parameters

• Formula: C24 H23 N3 O3
• Calculated formula: C24 H23 N3 O3
• SMILES: O1C([C@@]2(C#N)[C@]3(c4c(N(C3=O)COC)cccc4)[C@H]([C@@H]1[C@H]2Cc1ccccc1)C)=N.O1C([C@]2(C#N)[C@@]3(c4c(N(C3=O)COC)cccc4)[C@@H]([C@H]1[C@@H]2Cc1ccccc1)C)=N
• Title of publication: Stereoselective Synthesis of Five-Membered Spirooxindoles through Tomita Zipper Cyclization.
• Authors of publication: Ramachary, D. B.; Venkaiah, Chintalapudi; Krishna, Patoju M.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 4714 - 4717
• a: 6.504 ± 0.0005 Å
• b: 12.1956 ± 0.0009 Å
• c: 14.0644 ± 0.0012 Å
• α: 71.887 ± 0.007°
• β: 78.138 ± 0.007°
• γ: 89.663 ± 0.006°
• Cell volume: 1035.64 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1063
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.3161
• Weighted residual factors for all reflections included in the refinement: 0.3306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.457
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No