Information card for entry 7204151

Structure parameters

• Formula: C28 H28 N4
• Calculated formula: C28 H28 N4
• SMILES: N(c1ccc(C2(C(CCc3ccccc23)(C#N)C#N)c2ccc(N(C)C)cc2)cc1)(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: 9.49 ± 0.001 Å
• b: 23.201 ± 0.002 Å
• c: 10.4463 ± 0.0003 Å
• α: 90°
• β: 99.1048 ± 0.0006°
• γ: 90°
• Cell volume: 2271.1 ± 0.3 ų
• Cell temperature: 123.2 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 significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 2.543
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No