Information card for entry 7040536

Structure parameters

• Formula: C82 H90 F24 N10 O31.2
• Calculated formula: C82 H90 F24 N10 O31.2
• Title of publication: Highly effective ion-pair receptors based on 2,2-bis(aminomethyl)-propionic acid.
• Authors of publication: Załubiniak, Dominika; Zakrzewski, Maciej; Piątek, Piotr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15557 - 15564
• a: 20.6125 ± 0.0014 Å
• b: 9.4687 ± 0.0007 Å
• c: 26.8611 ± 0.0018 Å
• α: 90°
• β: 110.255 ± 0.002°
• γ: 90°
• Cell volume: 4918.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1245
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2816
• Weighted residual factors for all reflections included in the refinement: 0.3021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No