Information card for entry 1542551

Structure parameters

• Formula: C44 H38 Cl6 N6 O6
• Calculated formula: C44 H38 Cl6 N6 O6
• 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: 10.1932 ± 0.0019 Å
• b: 12.318 ± 0.002 Å
• c: 19.654 ± 0.004 Å
• α: 72.773 ± 0.004°
• β: 77.793 ± 0.004°
• γ: 81.49 ± 0.004°
• Cell volume: 2294.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.145
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.233
• Weighted residual factors for all reflections included in the refinement: 0.2589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No