Information card for entry 7126715

Structure parameters

• Formula: C40 H66 N4 O25
• Calculated formula: C40 H60 N4 O25
• Title of publication: Visual discrimination of aromatic acid substitution patterns by supramolecular nanocooperativity.
• Authors of publication: Kravets, Mykola; Sobczak, Grzegorz; Rad, Nazar; Misztalewska-Turkowicz, Iwona; Danylyuk, Oksana; Sashuk, Volodymyr
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 61
• Pages of publication: 8595 - 8598
• a: 10.9214 ± 0.0004 Å
• b: 10.9343 ± 0.0003 Å
• c: 20.6594 ± 0.0006 Å
• α: 98.174 ± 0.002°
• β: 90.822 ± 0.002°
• γ: 102.662 ± 0.002°
• Cell volume: 2380 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No