Information card for entry 7101024

Structure parameters

• Formula: C14 H11 N3
• Calculated formula: C14 H11 N3
• SMILES: c1(ccc(cc1)C#C/C=C(/C#N)C#N)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: 4.0006 ± 0.0003 Å
• b: 17.9661 ± 0.001 Å
• c: 17.145 ± 0.002 Å
• α: 90°
• β: 96.308 ± 0.003°
• γ: 90°
• Cell volume: 1224.85 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No