Information card for entry 1549690

Structure parameters

• Common name: 1,14-bis(mesitylanilino)-5,10-diphenyltripyrrin
• Chemical name: 1,14-bis(mesitylanilino)-5,10-diphenyltripyrrin
• Formula: C47.5 H49 Cl N5
• Calculated formula: C47.5 H49 Cl N5
• Title of publication: Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins
• Authors of publication: Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro
• Journal of publication: Chemical Science
• Year of publication: 2018
• a: 21.584 ± 0.003 Å
• b: 14.4183 ± 0.0019 Å
• c: 25.314 ± 0.003 Å
• α: 90°
• β: 94.247 ± 0.004°
• γ: 90°
• Cell volume: 7856.2 ± 1.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No