Information card for entry 7062949

Structure parameters

• Formula: C23 H32 N4 O2
• Calculated formula: C23 H32 N4 O2
• SMILES: O1c2n(c3c(c2C(=O)NC(C)(C)C)cccc3)/C(=N/C(C)(C)C)/C1=N/C(C)(C)C
• Title of publication: Synthesis of N-fused polycyclic indoles via a Pd-catalyzed multicomponent cascade reaction consisting of an amide-directed [3+1+1] annulation reaction of 3-diazo oxindole and isocyanides
• Authors of publication: Soam, Pooja; Mandal, Debasish; Tyagi, Vikas
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 2639 - 2648
• a: 9.59358 ± 0.00018 Å
• b: 10.5593 ± 0.0002 Å
• c: 11.9248 ± 0.0003 Å
• α: 103.814 ± 0.0019°
• β: 97.5949 ± 0.0017°
• γ: 98.8737 ± 0.0017°
• Cell volume: 1140.9 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No