Information card for entry 7117365

Structure parameters

• Formula: C40 H41 N3 O12
• Calculated formula: C40 H41 N3 O12
• SMILES: O(C(C)(C)C)C(=O)N1C(=O)[C@@]2([C@@]3(N(C(=O)OCc4ccccc4)[C@H](C(=O)OC)[C@H]2C(=O)OC)c2ccccc2N(C3=O)C(=O)OC(C)(C)C)c2c1cccc2.O(C(C)(C)C)C(=O)N1C(=O)[C@]2([C@]3(N(C(=O)OCc4ccccc4)[C@@H](C(=O)OC)[C@@H]2C(=O)OC)c2ccccc2N(C3=O)C(=O)OC(C)(C)C)c2c1cccc2
• Title of publication: An unprecedented base-promoted domino reaction of methyleneindolinones and N-tosyloxycarbamates for the construction of bispirooxindoles and spiroaziridine oxindoles
• Authors of publication: Qi-Lin Wang; Tian Cai; Jing Zhou; Fang Tian; Xiao-Ying Xu; Li-Xin Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10726
• a: 10.8958 ± 0.0012 Å
• b: 17.3981 ± 0.0019 Å
• c: 19.868 ± 0.002 Å
• α: 90°
• β: 91.143 ± 0.002°
• γ: 90°
• Cell volume: 3765.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No