Information card for entry 4518206

Structure parameters

• Formula: C50 H65 N12 O17
• Calculated formula: C50 H65 N12 O17
• Title of publication: Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.
• Authors of publication: Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 45
• Pages of publication: 29601 - 29608
• a: 8.5352 ± 0.0003 Å
• b: 20.3585 ± 0.0007 Å
• c: 15.2562 ± 0.0005 Å
• α: 90°
• β: 90.899 ± 0.003°
• γ: 90°
• Cell volume: 2650.65 ± 0.16 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 4
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No