Information card for entry 7134911

Structure parameters

• Formula: C74 H54 N12 O6
• Calculated formula: C74 H54 N12 O6
• Title of publication: Foldamer engineering with squaramide and phenanthroline motifs: synthesis, characterisation, and structural insights.
• Authors of publication: Benny, Renitta; Andrews, Alex P.; De, Soumen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 77
• Pages of publication: 14955 - 14958
• a: 17.1456 ± 0.0003 Å
• b: 17.1456 ± 0.0003 Å
• c: 16.9139 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4306.06 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: Mo K\a
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No