Information card for entry 7127321

Structure parameters

• Formula: C30 H22 N2 O5
• Calculated formula: C30 H22 N2 O5
• SMILES: O=C1[C@](Nc2c1cccc2)(c1[nH]c2c(c1c1c(C(=O)OC)c(O)ccc1O)cccc2)c1ccccc1
• Title of publication: Organocatalytic asymmetric synthesis of arylindolyl indolin-3-ones with both axial and central chirality.
• Authors of publication: Yuan, Xi; Wu, Xudong; Peng, Fei; Yang, Haijun; Zhu, Changjin; Fu, Hua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 83
• Pages of publication: 12648 - 12651
• a: 8.8477 ± 0.0002 Å
• b: 14.2309 ± 0.0002 Å
• c: 9.6371 ± 0.0001 Å
• α: 90°
• β: 95.549 ± 0.002°
• γ: 90°
• Cell volume: 1207.73 ± 0.03 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No