Information card for entry 1542554

Structure parameters

• Formula: C119 H151 Cl9 N14 O20 P2
• Calculated formula: C119 H147 Cl9 N14 O20 P2
• Title of publication: Non-cyclic formylated dipyrromethanes as phosphate anion receptors
• Authors of publication: Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 3843
• a: 16.0755 ± 0.0007 Å
• b: 18.9299 ± 0.0007 Å
• c: 24.4976 ± 0.0006 Å
• α: 93.415 ± 0.002°
• β: 96.103 ± 0.003°
• γ: 111.261 ± 0.004°
• Cell volume: 6869.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1811
• Residual factor for significantly intense reflections: 0.1255
• Weighted residual factors for significantly intense reflections: 0.3052
• Weighted residual factors for all reflections included in the refinement: 0.3446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.544
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No