Information card for entry 7124970

Structure parameters

• Formula: C46 H38 Cl2 N6
• Calculated formula: C46 H38 Cl2 N6
• Title of publication: Bowl-shaped Tröger's bases and their recognition properties.
• Authors of publication: Mosca, Lorenzo; Čejka, Jan; Dolenský, Bohumil; Havlík, Martin; Jakubek, Milan; Kaplánek, Robert; Král, Vladimír; Anzenbacher, Pavel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 70
• Pages of publication: 10664 - 10667
• a: 17.9422 ± 0.0014 Å
• b: 18.3629 ± 0.0016 Å
• c: 20.9128 ± 0.0013 Å
• α: 107.088 ± 0.007°
• β: 100.483 ± 0.006°
• γ: 116.305 ± 0.008°
• Cell volume: 5498.3 ± 1 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1479
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections: 0.2544
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0114
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No