Information card for entry 1565392

Structure parameters

• Formula: C20 H15 N3 O2
• Calculated formula: C20 H15 N3 O2
• SMILES: O(c1cc(C#Cc2ncccc2)c(cc1OC)C#Cc1[nH]ccn1)C
• Title of publication: Synthesis of 4-[(2-imidazylethynyl)]-5-(2-pyridylethynyl)veratrole and characterization of the coordination complexes with silver(I) and palladium(II)
• Authors of publication: Nwachukwu, Chideraa I.; Bosch, Eric
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119328
• a: 6.698 ± 0.003 Å
• b: 9.659 ± 0.004 Å
• c: 13.379 ± 0.006 Å
• α: 110.387 ± 0.006°
• β: 95.185 ± 0.006°
• γ: 92.835 ± 0.007°
• Cell volume: 805 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No