Information card for entry 7045598

Structure parameters

• Formula: C46 H30 N6 O2
• Calculated formula: C46 H30 N6 O2
• SMILES: c12ccccc1ccc(c1cc(=O)cc(c3ccc4ccccc4n3)[nH]1)n2.c12ccccc1ccc(c1cc(cc(c3ccc4ccccc4n3)n1)O)n2
• Title of publication: Self-assembly of singlet-emitting double-helical silver dimers: the curious coordination chemistry and fluorescence of bisquinolylpyridone.
• Authors of publication: Farrow, Charlotte M. A.; Akien, Geoffrey R.; Halcovitch, Nathan R.; Platts, James A.; Coogan, M. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3906 - 3912
• a: 18.2068 ± 0.0004 Å
• b: 6.0788 ± 0.00019 Å
• c: 30.4579 ± 0.001 Å
• α: 90°
• β: 97.629 ± 0.003°
• γ: 90°
• Cell volume: 3341.11 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No