Information card for entry 4123354

Structure parameters

• Formula: C120 H150 N6 O12 P4
• Calculated formula: C120 H150 N6 O12 P4
• Title of publication: Tetra-phosphonate Calix[4]pyrrole Cavitands as Multitopic Receptors for the Recognition of Ion Pairs.
• Authors of publication: Ciardi, Moira; Galán, Albano; Ballester, Pablo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 5
• Pages of publication: 2047 - 2055
• a: 29.1112 ± 0.0013 Å
• b: 22.9424 ± 0.001 Å
• c: 32.0414 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21399.8 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.2579
• Weighted residual factors for all reflections included in the refinement: 0.2917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No