Information card for entry 7247527

Structure parameters

• Formula: C24 H20 N2
• Calculated formula: C24 H20 N2
• SMILES: n1ccc(cc1)Cc1ccc(cc1)c1ccc(cc1)Cc1ccncc1
• Title of publication: Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core
• Authors of publication: Chaudhary, Simran; Kędziera, Dariusz; Rafiński, Zbigniew; Dobrzańska, Liliana
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 44
• Pages of publication: 30625 - 30632
• a: 5.768 ± 0.00005 Å
• b: 9.9821 ± 0.0001 Å
• c: 15.6039 ± 0.0001 Å
• α: 90°
• β: 100.441 ± 0.001°
• γ: 90°
• Cell volume: 883.546 ± 0.013 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No