Information card for entry 7235256

Structure parameters

• Formula: C96 H56 Br12 N12 O5
• Calculated formula: C96 H56 Br12 N12 O5
• Title of publication: Nano Au/Pd-catalysed ‘on-water’ synthesis of C3‒C3′ diaryl-oxindole scaffolds via N2-selective dearomatization of indole
• Authors of publication: Gohain, Shivanee Borpatra; Basumatary, Monika; Boruah, Purna K.; Das, Manash R.; Thakur, Ashim Jyoti
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 1
• Pages of publication: 170 - 179
• a: 8.6559 ± 0.0005 Å
• b: 15.6308 ± 0.0009 Å
• c: 16.2787 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2202.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1928
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No