Information card for entry 7101023

Structure parameters

• Formula: C24 H20 N6
• Calculated formula: C24 H20 N6
• SMILES: C(c1ccc(cc1)N(C)C)(=C(C#N)C#N)C(=C(\C#N)C#N)/c1ccc(cc1)N(C)C
• Title of publication: A new class of organic donor-acceptor molecules with large third-order optical nonlinearities
• Authors of publication: Francois Diederich; Ivan Biaggio; Corinne Boudon; Jean-Paul Gisselbrecht; Maurice Gross; J.H. Lim; Joshua C. May; Tsuyoshi Michinobu; Paul Seiler
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 15.0448 ± 0.0007 Å
• b: 15.9323 ± 0.0008 Å
• c: 17.13 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4106 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No