Information card for entry 7150524

Structure parameters

• Formula: C24 H20 N4
• Calculated formula: C24 H20 N4
• SMILES: C(=C(C#N)\C#Cc1ccc(cc1)N(C)C)(C#Cc1ccc(cc1)N(C)C)\C#N
• Title of publication: Donor-substituted cyanoethynylethenes: powerful chromophores for opto-electronic applications
• Authors of publication: Nicolle N. P. Moonen; Robin Gist; Corinne Boudon; Jean-Paul Gisselbrecht; Paul Seiler; Tsuyoshi Kawai; Atsushi Kishioka; Maurice Gross; Masahiro Irie; François Diederich
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 12
• Pages of publication: 2032 - 2034
• a: 3.9477 ± 0.0002 Å
• b: 11.1064 ± 0.0004 Å
• c: 22.3725 ± 0.0009 Å
• α: 90°
• β: 93.769 ± 0.002°
• γ: 90°
• Cell volume: 978.79 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No