Information card for entry 7114873

Structure parameters

• Formula: C25 H24 N4
• Calculated formula: C25 H24 N4
• SMILES: n1ccccc1CNc1ccc(cc1)Cc1ccc(cc1)NCc1ccccn1
• Title of publication: Anion directed assembly of a dinuclear double helicateElectronic supplementary information (ESI) available: Fig. S1: stereoviews showing the packing of 1 in the solid state. Fig. S2: partial 1H NMR spectra of L2 and 1 and their assignment. See http://www.rsc.org/suppdata/cc/b1/b106981k/
• Authors of publication: Keegan, Jennifer; Kruger, Paul E.; Nieuwenhuyzen, Mark; O’Brien, John; Martin, Noreen
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 2192
• a: 11.5546 ± 0.0008 Å
• b: 8.1809 ± 0.0005 Å
• c: 21.5214 ± 0.0014 Å
• α: 90°
• β: 97.881 ± 0.001°
• γ: 90°
• Cell volume: 2015.1 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No