Information card for entry 2228577

Structure parameters

• Chemical name: 3',7',7'-Trimethyl-1'-phenyl-5',6',7',8'-tetrahydrospiro[indoline- 3,4'-(1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>b</i>]chromene)]-2,5'-dione
• Formula: C26 H23 N3 O3
• Calculated formula: C26 H23 N3 O3
• SMILES: c1(c2c(n(c3ccccc3)n1)OC1=C(C32C(=O)Nc2c3cccc2)C(=O)CC(C1)(C)C)C
• Title of publication: 3',7',7'-Trimethyl-1'-phenyl-5',6',7',8'-tetrahydrospiro[indoline-3,4'-(1<i>H</i>,4<i>H</i>-pyrazolo[3,4-<i>b</i>]chromene)]-2,5'-dione
• Authors of publication: Zhao, Li-Qin; Li, Bin; Li, Yi-Qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3115
• a: 11.8778 ± 0.0019 Å
• b: 12.891 ± 0.002 Å
• c: 14.039 ± 0.002 Å
• α: 90°
• β: 100.28 ± 0.003°
• γ: 90°
• Cell volume: 2115.1 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes