Information card for entry 7108775

Structure parameters

• Common name: L
• Chemical name: 1,1'-(phenanthrene-2,7-diyldimethanediyl)bis(1H-imidazole)
• Formula: C22 H16 N4
• Calculated formula: C22 H16 N4
• Title of publication: An infinite catenane self-assembled by pi^...^pi interactions
• Authors of publication: Leigh Loots; Leonard J. Barbour
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 671
• a: 6.3522 ± 0.0014 Å
• b: 5.5996 ± 0.0013 Å
• c: 23.548 ± 0.005 Å
• α: 90°
• β: 94.63 ± 0.003°
• γ: 90°
• Cell volume: 834.9 ± 0.3 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: 0.0957
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No