Information card for entry 7101275

Structure parameters

• Formula: C20 H24 N2
• Calculated formula: C20 H24 N2
• SMILES: C1(C(c2cccc3cccc1c23)=NC(C)(C)C)=NC(C)(C)C
• Title of publication: Facile Routes to Alkyl-BIAN ligands
• Authors of publication: A.Cowley; Nicholas Hill; Jennifer Moore; Gregor Reeske; Kalyan Vasudevan
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 27
• a: 10.986 ± 0.005 Å
• b: 10.986 ± 0.005 Å
• c: 13.853 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1671.9 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No