Information card for entry 7132975

Structure parameters

• Formula: C26 H20 N2 O3
• Calculated formula: C26 H20 N2 O3
• SMILES: O=C1N(C(=O)c2c(C31N(c1c(C3=C)cccc1)C(=O)C)cccc2)Cc1ccccc1
• Title of publication: Green synthesis for diverse bioactive benzo-fused spiroindolines through DBU-catalysed post-Ugi double cyclization.
• Authors of publication: Zhao, Shuang; Chen, Mengxiao; Zhou, Wenlu; Ni, Dan; Li, Zhenghua; Nie, Shenyou; He, Yi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 41
• Pages of publication: 5455 - 5458
• a: 15.6096 ± 0.0003 Å
• b: 16.4461 ± 0.0003 Å
• c: 16.1674 ± 0.0003 Å
• α: 90°
• β: 96.743 ± 0.001°
• γ: 90°
• Cell volume: 4121.74 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No