Information card for entry 4103327

Structure parameters

• Formula: C25 H25 F3 N2 O3
• Calculated formula: C25 H25 F3 N2 O3
• SMILES: FC(F)(F)C(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@]23CCCC[C@]12N(c1c3cccc1)C
• Title of publication: Enantioselective Synthesis of Pyrroloindolines by a Formal [3 + 2] Cycloaddition Reaction
• Authors of publication: Lindsay M. Repka; Jane Ni; Sarah E. Reisman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14418 - 14420
• a: 9.8089 ± 0.0006 Å
• b: 8.4633 ± 0.0005 Å
• c: 13.9252 ± 0.0009 Å
• α: 90°
• β: 108.657 ± 0.003°
• γ: 90°
• Cell volume: 1095.26 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No