Information card for entry 7115891

Structure parameters

• Formula: C28 H17 F7 N4 O6
• Calculated formula: C28 H17 F7 N4 O6
• SMILES: Fc1cc(c(N(=O)=O)cc1)[C@]1(N=C[C@@]2(C1)c1ccccc1N(C2=O)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OC.Fc1cc(c(N(=O)=O)cc1)[C@@]1(N=C[C@]2(C1)c1ccccc1N(C2=O)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OC
• Title of publication: A cation-directed two-component cascade approach to enantioenriched pyrroloindolines
• Authors of publication: Jamie R. Wolstenhulme; Alex Cavell; Matija Gredicak; Russell W. Driver; Martin D. Smith
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13585
• a: 15.47 ± 0.002 Å
• b: 9.988 ± 0.001 Å
• c: 18.047 ± 0.003 Å
• α: 90°
• β: 108.19 ± 0.006°
• γ: 90°
• Cell volume: 2649.2 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0591
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.1217
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7115887
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No