Information card for entry 7101022

Structure parameters

• Formula: C28 H24 Cl4 N6
• Calculated formula: C28 H24 Cl4 N6
• SMILES: C(=C(C#N)C#N)(C#Cc1ccc(cc1)N(C)C)C(=C(C#N)C#N)c1ccc(cc1)N(C)C.C(Cl)Cl.C(Cl)Cl
• 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: 7.3661 ± 0.0001 Å
• b: 9.5653 ± 0.0002 Å
• c: 20.869 ± 0.0004 Å
• α: 91.58 ± 0.008°
• β: 95.014 ± 0.007°
• γ: 92.986 ± 0.009°
• Cell volume: 1462.03 ± 0.05 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No