Information card for entry 7128862

Structure parameters

• Formula: C24 H22 N2 O2
• Calculated formula: C24 H22 N2 O2
• SMILES: O=C1N(C(CC1)C(=O)Nc1ccccc1c1ccccc1)Cc1ccccc1
• Title of publication: Cu(OTf)₂ catalyzed Ugi-type reaction of <i>N</i>,<i>O</i>-acetals with isocyanides for the synthesis of pyrrolidinyl and piperidinyl 2-carboxamides.
• Authors of publication: Mao, Zhuo-Ya; Nie, Xiao-Di; Feng, Yi-Man; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 73
• Pages of publication: 9248 - 9251
• a: 9.8421 ± 0.0019 Å
• b: 19.15 ± 0.004 Å
• c: 10.45 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1969.6 ± 0.7 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No