Information card for entry 7217827

Structure parameters

• Formula: C25 H18 N2
• Calculated formula: C25 H18 N2
• SMILES: c1(c2ccccc2)[nH]c2c(c(ccc2c2ccccc2)c2ccccc2)n1
• Title of publication: 2,4,7-triphenylbenzimidazole : the monomeric unit of supramolecular helical rod-like transmembrane transporters
• Authors of publication: Kempf, Julie; Noujeim, Nadim; Schmitzer, Andreea R.
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 10.3041 ± 0.0001 Å
• b: 10.3041 ± 0.0001 Å
• c: 29.1806 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2683.15 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No