Information card for entry 7115888

Structure parameters

• Common name: spirocyclic pyrroline_3
• Formula: C28 H17 F7 N4 O6
• Calculated formula: C28 H17 F7 N4 O6
• SMILES: Fc1cc([C@@]2(N=C[C@]3(C2)C(=O)N(c2c3cccc2)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c(N(=O)=O)cc1.Fc1cc([C@]2(N=C[C@@]3(C2)C(=O)N(c2c3cccc2)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c(N(=O)=O)cc1
• 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: 7.9955 ± 0.0004 Å
• b: 10.0717 ± 0.0005 Å
• c: 16.9314 ± 0.0009 Å
• α: 76.919 ± 0.005°
• β: 89.286 ± 0.004°
• γ: 83.437 ± 0.004°
• Cell volume: 1319.25 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9706
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No