Information card for entry 7045596

Structure parameters

• Formula: C23 H15 N3 O
• Calculated formula: C23 H15 N3 O
• SMILES: O=c1cc([nH]c(c2nc3c(cc2)cccc3)c1)c1nc2c(cc1)cccc2
• 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: 26.3237 ± 0.0005 Å
• b: 3.84158 ± 0.00008 Å
• c: 35.9106 ± 0.0008 Å
• α: 90°
• β: 91.6279 ± 0.0019°
• γ: 90°
• Cell volume: 3629.98 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No