Information card for entry 2312709

Structure parameters

• Formula: C17 H23 I N2
• Calculated formula: C17 H23 I N2
• SMILES: [I-].C[N+](C)(c1ccc(c2ccc(N(C)C)cc2)cc1)C
• 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: 5.76 ± 0.0001 Å
• b: 7.9063 ± 0.0001 Å
• c: 17.6186 ± 0.0003 Å
• α: 90°
• β: 97.412 ± 0.002°
• γ: 90°
• Cell volume: 795.65 ± 0.02 ų
• Cell temperature: 99.8 ± 0.6 K
• Ambient diffraction temperature: 99.8 ± 0.6 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes