Information card for entry 1542954

Structure parameters

• Formula: C22 H18 N2 O
• Calculated formula: C22 H18 N2 O
• SMILES: O=C(/C(=N\c1ccccc1)N1c2c(cccc2)CC1)c1ccccc1
• Title of publication: One-Pot Two-Step Multicomponent Process of Indole and Other Nitrogenous Heterocycles or Amines toward α-Oxo-acetamidines.
• Authors of publication: Martinez-Ariza, Guillermo; McConnell, Nicholas; Hulme, Christopher
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1864 - 1867
• a: 9.2118 ± 0.0005 Å
• b: 9.4709 ± 0.0006 Å
• c: 10.8004 ± 0.0006 Å
• α: 84.286 ± 0.001°
• β: 77.568 ± 0.001°
• γ: 64.183 ± 0.001°
• Cell volume: 828.32 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No