Information card for entry 2312716

Structure parameters

• Formula: C60 H80 N4 O18
• Calculated formula: C60 H80 N4 O18
• Title of publication: Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
• Authors of publication: Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• Pages of publication: 751 - 759
• a: 10.0218 ± 0.0004 Å
• b: 11.3143 ± 0.0004 Å
• c: 13.6143 ± 0.0004 Å
• α: 92.431 ± 0.003°
• β: 90.386 ± 0.003°
• γ: 113.564 ± 0.004°
• Cell volume: 1413.25 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes