Information card for entry 7229453

Structure parameters

• Formula: C24 H17 Br2 N O2
• Calculated formula: C24 H17 Br2 N O2
• SMILES: Brc1c2N[C@@]3(/C=C/c4ccccc4)c4ccccc4OC[C@]3(c2cc(Br)c1)C=O.Brc1c2N[C@]3(/C=C/c4ccccc4)c4ccccc4OC[C@@]3(c2cc(Br)c1)C=O
• Title of publication: Construction of 2,3-Quaternary Fused Indolines from Alkynyl tethered Oximes and Diaryliodonium Salts through A Cascade Strategy of N-Arylation/Cycloaddition/[3,3]-Rearrangement
• Authors of publication: Ma, Xiao-Pan; Li, Kun; Wu, Si-Yi; Liang, Cui; SU, Guifa; Mo, Dong-Liang
• Journal of publication: Green Chem.
• Year of publication: 2017
• a: 8.8958 ± 0.0012 Å
• b: 18.729 ± 0.002 Å
• c: 13.2336 ± 0.0018 Å
• α: 90°
• β: 108.186 ± 0.002°
• γ: 90°
• Cell volume: 2094.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.1009
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No