Information card for entry 7707678

Structure parameters

• Formula: C34 H45 N5 O2
• Calculated formula: C34 H45 N5 O2
• SMILES: [O-]C1=C(Nc2ccc(cc2)C#N)C(=O)C\1=N/c1ccc(cc1)C#N.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Dual role of silver in a fluorogenic <i>N</i>-squaraine probe based on Ag(I)-π interactions.
• Authors of publication: Vega, Manel; Blasco, Salvador; García-España, Enrique; Soberats, Bartolomé; Frontera, Antonio; Rotger, Carmen; Costa, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 27
• Pages of publication: 9367 - 9371
• a: 8.329 ± 0.004 Å
• b: 12.701 ± 0.004 Å
• c: 15.105 ± 0.006 Å
• α: 94.262 ± 0.012°
• β: 94.357 ± 0.01°
• γ: 95.865 ± 0.009°
• Cell volume: 1579.5 ± 1.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1034
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No