Information card for entry 4514949

Structure parameters

• Formula: C23 H21 Cl3 F N3 O7
• Calculated formula: C23 H21 Cl3 F N3 O7
• SMILES: N1C(=O)[C@@]2(C[C@@H]([C@](N(=O)=O)([C@H]2c2ccc(cc2)F)C(=O)OCC)CN(=O)=O)c2ccccc12.C(Cl)(Cl)Cl.N1C(=O)[C@]2(C[C@H]([C@@](N(=O)=O)([C@@H]2c2ccc(cc2)F)C(=O)OCC)CN(=O)=O)c2ccccc12.C(Cl)(Cl)Cl
• 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: 7.1303 ± 0.0002 Å
• b: 11.687 ± 0.0004 Å
• c: 15.7104 ± 0.0005 Å
• α: 82.5101 ± 0.0013°
• β: 82.4547 ± 0.0013°
• γ: 88.0256 ± 0.0013°
• Cell volume: 1286.57 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No