Information card for entry 7134877

Structure parameters

• Formula: C70 H98 N9 O10 P
• Calculated formula: C70 H98 N9 O10 P
• Title of publication: A calix[4]pyrrole functionalized with an amidoindole ester for the selective recognition of the dihydrogen phosphate anion.
• Authors of publication: Oh, Ju Hyun; Shin, Sang Kyu; Kim, Sung Kuk
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 71
• Pages of publication: 13425 - 13428
• a: 14.0616 ± 0.0002 Å
• b: 16.111 ± 0.0002 Å
• c: 32.035 ± 0.0005 Å
• α: 90°
• β: 96.228 ± 0.002°
• γ: 90°
• Cell volume: 7214.58 ± 0.18 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0553
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.97741 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No