Information card for entry 4514956

Structure parameters

• Formula: C20 H19 N3 O5
• Calculated formula: C20 H19 N3 O5
• SMILES: O=C1N(c2c([C@]31[C@@H]([C@@H](N(=O)=O)[C@H](C3)CN(=O)=O)c1ccccc1)cccc2)C
• Title of publication: Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.
• Authors of publication: Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 655 - 667
• a: 9.5902 ± 0.0002 Å
• b: 9.6661 ± 0.0002 Å
• c: 20.341 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1885.61 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No