Information card for entry 4306178

Structure parameters

• Common name: CNArMes2
• Formula: C25 H25 N
• Calculated formula: C25 H25 N
• SMILES: [C]#[N]c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Solution Behavior and Structural Properties of Cu(I) Complexes Featuringm-Terphenyl Isocyanides
• Authors of publication: Brian J. Fox; Queena Y. Sun; Antonio G. DiPasquale; Alexander R. Fox; Arnold L. Rheingold; Joshua S. Figueroa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9010 - 9020
• a: 17.304 ± 0.002 Å
• b: 7.9368 ± 0.001 Å
• c: 28.327 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3890.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1099
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No