Information card for entry 7247526

Structure parameters

• Formula: C20 H18 N4
• Calculated formula: C20 H18 N4
• SMILES: n1(cncc1)Cc1ccc(cc1)c1ccc(cc1)Cn1cncc1
• 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: 5.6618 ± 0.0001 Å
• b: 14.6008 ± 0.0002 Å
• c: 19.1251 ± 0.0003 Å
• α: 90°
• β: 90.651 ± 0.001°
• γ: 90°
• Cell volume: 1580.91 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0384
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No