Information card for entry 1520691

Structure parameters

• Formula: C16 H15 N3
• Title of publication: The Analogy Between C=O and C=C(CN)2: Structural Properties of 3-(N,N-Dialkylamino)propenones and 4-(N,N-Dialkylamino)-1,1-dicyano- 1,3-butadienes
• Authors of publication: Karlsen, Hege; Kolsaker, Per; Romming, Christian; Uggerud, Einar
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 391 - 398
• a: 19.876 ± 0.001 Å
• b: 9.914 ± 0.001 Å
• c: 13.8064 ± 0.0001 Å
• α: 90°
• β: 90.33 ± 0.01°
• γ: 90°
• Cell volume: 2720.5 ± 0.3 ų
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No