Information card for entry 7124969

Structure parameters

• Formula: C69 H52 N8 O4
• Calculated formula: C69 H52 N8 O4
• 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: 21.3761 ± 0.0008 Å
• b: 12.4047 ± 0.0004 Å
• c: 21.2424 ± 0.0007 Å
• α: 90°
• β: 113.697 ± 0.002°
• γ: 90°
• Cell volume: 5157.8 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 4
• 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: 0.1467
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections: 0.2669
• Weighted residual factors for significantly intense reflections: 0.2275
• Weighted residual factors for all reflections included in the refinement: 0.2669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0109
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No