Information card for entry 1549698

Structure parameters

• Common name: 1,14-dianilino-5,10-diphenyltripyrrin
• Chemical name: 1,14-dianilino-5,10-diphenyltripyrrin
• Formula: C79.98 H59 Cl3 N10
• Calculated formula: C79.98 H59 Cl3 N10
• 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: 50.519 ± 0.007 Å
• b: 50.519 ± 0.007 Å
• c: 13.4259 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 29675 ± 7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No