Information card for entry 7126981

Structure parameters

• Formula: C43 H62.5 Cl Li N11.5 O7
• Calculated formula: C43 H62.5 Cl Li N11.5 O7
• Title of publication: Strapped calix[4]pyrrole as a lithium salts selective receptor through separated ion-pair binding.
• Authors of publication: Hong, Kyeong-Im; Kim, Hyeongcheol; Kim, Younghun; Choi, Moon-Gun; Jang, Woo-Dong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 72
• Pages of publication: 10541 - 10544
• a: 9.721 ± 0.0019 Å
• b: 14.384 ± 0.003 Å
• c: 17.153 ± 0.003 Å
• α: 88.5 ± 0.03°
• β: 86.85 ± 0.03°
• γ: 77.08 ± 0.03°
• Cell volume: 2334 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0605
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No