Information card for entry 1558492

Structure parameters

• Formula: C19 H14 N4
• Calculated formula: C19 H14 N4
• SMILES: c1(ccccc1)N1N=C(CC1)/C=C(c1c(cccc1)C#N)\C#N
• Title of publication: Lasing Properties Activation by Constitutional Isomerism of an Electron-Accepting Group
• Authors of publication: Szukalski, Adam; Haupa, Karolina A.; Janczak, Jan; Przybył, Bartosz; Sznitko, Lech; Myśliwiec, Jarosław
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2020
• Journal volume: 124
• Journal issue: 25
• Pages of publication: 13845 - 13857
• a: 27.9461 ± 0.0011 Å
• b: 8.4289 ± 0.0003 Å
• c: 13.7881 ± 0.0006 Å
• α: 90°
• β: 105.092 ± 0.004°
• γ: 90°
• Cell volume: 3135.8 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No