Information card for entry 7160572

Structure parameters

• Formula: C30 H36 Cl F6 N3 O8
• Calculated formula: C30 H36 Cl F6 N3 O8
• Title of publication: Multifunctional supramolecular receptors: aqueous ion recognition, HCl sensing and cytotoxic potential.
• Authors of publication: Jagleniec, Damian; Sęktas, Katarzyna; Dobrzycki, Łukasz; Ludwinek, Miłosz; Nasulewicz-Goldeman, Anna; Wietrzyk, Joanna; Romański, Jan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 26
• Pages of publication: 6425 - 6433
• a: 17.4573 ± 0.0007 Å
• b: 8.6334 ± 0.0003 Å
• c: 22.4641 ± 0.0008 Å
• α: 90°
• β: 103.894 ± 0.001°
• γ: 90°
• Cell volume: 3286.6 ± 0.2 ų
• Cell temperature: 130 ± 0.5 K
• Ambient diffraction temperature: 130 ± 0.5 K
• Number of distinct elements: 6
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No