Information card for entry 1505970

Structure parameters

• Formula: C25 H24 N2 O
• Calculated formula: C25 H24 N2 O
• SMILES: C(=O)(C[C@H](c1cc2ccccc2[nH]1)c1ccccc1)N[C@H](C)c1ccccc1
• Title of publication: Catalytic enantioselective pyrrole alkylations of alpha,beta-unsaturated 2-acyl imidazoles.
• Authors of publication: Evans, David A.; Fandrick, Keith R.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 2249 - 2252
• a: 4.9719 ± 0.0009 Å
• b: 14.74 ± 0.003 Å
• c: 26.89 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1970.7 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No