Information card for entry 7157144

Structure parameters

• Formula: C46 H45 Br2 N6 O6
• Calculated formula: C46 H45 Br2 N6 O6
• Title of publication: Highly regio- and diastereoselective [3 + 2]-cycloadditions involving indolediones and α,β-disubstituted nitroethylenes.
• Authors of publication: Rao, Madhuri P.; Gunaga, Shubha S.; Zuegg, Johannes; Pamarthi, Rambabu; Ganesh, Madhu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 42
• Pages of publication: 9390 - 9402
• a: 24.8162 ± 0.0005 Å
• b: 11.0757 ± 0.0002 Å
• c: 34.2851 ± 0.0007 Å
• α: 90°
• β: 100.28 ± 0.002°
• γ: 90°
• Cell volume: 9272.2 ± 0.3 ų
• Cell temperature: 100.03 ± 0.11 K
• Ambient diffraction temperature: 100.03 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No