Information card for entry 4514958

Structure parameters

• Formula: C20 H19 N3 O5
• Calculated formula: C20 H19 N3 O5
• SMILES: O=C1N(c2c([C@]31C[C@@H]([C@H](N(=O)=O)[C@H]3c1ccccc1)CN(=O)=O)cccc2)C.O=C1N(c2c([C@@]31C[C@H]([C@@H](N(=O)=O)[C@@H]3c1ccccc1)CN(=O)=O)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: 9.2665 ± 0.0003 Å
• b: 10.5833 ± 0.0003 Å
• c: 17.9618 ± 0.0005 Å
• α: 90°
• β: 90.9476 ± 0.0008°
• γ: 90°
• Cell volume: 1761.28 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No