Information card for entry 7041983

Structure parameters

• Formula: C24 H14 N4
• Calculated formula: C24 H14 N4
• SMILES: c1c(C#Cc2cnc(cc2)c2ncc(C#Cc3ccncc3)cc2)ccnc1
• Title of publication: Self-assembly of metal-ion-responsive supramolecular coordination complexes and their photophysical properties.
• Authors of publication: He, Zuoli; Li, Meng; Que, Wenxiu; Stang, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3120 - 3124
• a: 8.5761 ± 0.0007 Å
• b: 5.7765 ± 0.0005 Å
• c: 18.0007 ± 0.0014 Å
• α: 90°
• β: 93.358 ± 0.003°
• γ: 90°
• Cell volume: 890.22 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No