Information card for entry 1548970

Structure parameters

• Formula: C308 H374 N23 O12 P3
• Calculated formula: C308 H374 N23 O12 P3
• Title of publication: Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles.
• Authors of publication: Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 2863 - 2872
• a: 21.138 ± 0.002 Å
• b: 21.616 ± 0.002 Å
• c: 21.948 ± 0.002 Å
• α: 118.123 ± 0.005°
• β: 106.659 ± 0.006°
• γ: 99.169 ± 0.006°
• Cell volume: 7942 ± 1.5 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2733
• Residual factor for significantly intense reflections: 0.1399
• Weighted residual factors for significantly intense reflections: 0.3574
• Weighted residual factors for all reflections included in the refinement: 0.4307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.343
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No