Information card for entry 7134912

Structure parameters

• Formula: C43 H31 N6 O2
• Calculated formula: C43 H31 N6 O2
• 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: 28.494 ± 0.003 Å
• b: 12.5982 ± 0.0012 Å
• c: 21.951 ± 0.003 Å
• α: 90°
• β: 105.585 ± 0.004°
• γ: 90°
• Cell volume: 7590.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No