Information card for entry 1557563

Structure parameters

• Common name: N-(4,4-Dicyano-3-phenyl-1,3-butadieny1)-N,2,2-trimethyl-propanamide
• Formula: C18 H19 N3 O
• Calculated formula: C18 N3 O
• SMILES: O=C(N(/C=C/C(=C(C#N)C#N)c1ccccc1)C)C(C)(C)C
• Title of publication: Reaction between 2-Phenyl-1,1-dicyanoallyl Anion and N-Methyl-2,2-dimethylpropionitrilium and N1,N2,N2-Trimethyl-2,2-dimethylpropionylamidinium Trifluoromethanesulfonates
• Authors of publication: Kolsaker, Per; Karlsen, Hege; Romming, Christian
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1996
• Journal volume: 50
• Pages of publication: 623 - 632
• a: 15.523 ± 0.002 Å
• b: 9.179 ± 0.002 Å
• c: 23.876 ± 0.004 Å
• α: 90°
• β: 104.74 ± 0.01°
• γ: 90°
• Cell volume: 3290 ± 1 ų
• Ambient diffraction temperature: 138 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 2.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No