Information card for entry 7007347

Structure parameters

• Formula: C20 H12 N2
• Calculated formula: C20 H12 N2
• SMILES: C(#Cc1cccc2cccnc12)c1c2c(cccn2)ccc1
• Title of publication: Alkyne-containing chelating ligands: synthesis, properties and metal coordination of 1,2-di(quinolin-8-yl)ethyne.
• Authors of publication: Greco, Nicholas J.; Hysell, Michelle; Goldenberg, Joseph R.; Rheingold, Arnold L.; Tor, Yitzhak
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 19
• Pages of publication: 2288 - 2290
• a: 15.582 ± 0.005 Å
• b: 8.095 ± 0.003 Å
• c: 12.481 ± 0.004 Å
• α: 90°
• β: 117.362 ± 0.004°
• γ: 90°
• Cell volume: 1398.2 ± 0.8 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 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 all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No