Information card for entry 7204152

Structure parameters

• Formula: C20 H20 N4
• Calculated formula: C20 H20 N4
• SMILES: C(c1ccc(cc1)N(C)C)(=C(C#N)C#N)c1ccc(cc1)N(C)C
• Title of publication: Low-temperature X-ray structural analysis of propanedinitrile derivatives substituted with a bis(4-dimethylaminophenyl)methyl group: the origin of elongation of the donor‒acceptor substituted C‒C bond†
• Authors of publication: Suzuki, Takanori; Ono, Kazunori; Kawai, Hidetoshi; Tsuji, Takashi
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1798
• a: 11.804 ± 0.003 Å
• b: 9.299 ± 0.002 Å
• c: 15.358 ± 0.001 Å
• α: 90°
• β: 98.44 ± 0.002°
• γ: 90°
• Cell volume: 1667.5 ± 0.6 ų
• Cell temperature: 123.2 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 significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.947
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No