Information card for entry 7151729

Structure parameters

• Formula: C32 H18 N4
• Calculated formula: C32 H18 N4
• SMILES: C(#N)c1c(C#N)c(c2c(c1)cc1c(cc(C#N)c(C#N)c1c1ccc(C)cc1)c2)c1ccc(C)cc1
• Title of publication: Synthesis of electron deficient acene derivatives via a bidirectional iterative elongation reaction
• Authors of publication: Lin, Yi-Chun; Lin, Chih-Hsiu; Chen, Chan-Yu; Sun, Shih-Sheng; Pal, Bikash
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 4507
• a: 7.5239 ± 0.0004 Å
• b: 13.8384 ± 0.0008 Å
• c: 22.5279 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2345.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No