Information card for entry 7101276

Structure parameters

• Formula: C32 H36 N2
• Calculated formula: C32 H36 N2
• SMILES: C1(C(c2cccc3cccc1c23)=NC12CC3CC(C1)CC(C3)C2)=NC12CC3CC(C1)CC(C2)C3
• 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: 9.965 ± 0.005 Å
• b: 11.003 ± 0.005 Å
• c: 11.964 ± 0.005 Å
• α: 92.589 ± 0.005°
• β: 105.67 ± 0.005°
• γ: 108.86 ± 0.005°
• Cell volume: 1182.5 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2018
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No