Information card for entry 7159075

Structure parameters

• Common name: asymetrically substituted tripyrrin
• Chemical name: 1-(3,5-di-tert-butyl)phenylamino-14-(3,5-bis(trifluoromethyl)phenylamino)tripyrrin
• Formula: C108 H114 F12 N10
• Calculated formula: C108 H114 F12 N10
• Title of publication: Double helices of dissymmetrical α,α'-disubstituted tripyrrins.
• Authors of publication: Fukuda, Yui; Akamatsu, Yuki; Umetani, Masataka; Kise, Koki; Kato, Kenichi; Osuka, Atsuhiro; Tanaka, Takayuki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1158 - 1162
• a: 14.7295 ± 0.0001 Å
• b: 15.7269 ± 0.0001 Å
• c: 22.3191 ± 0.0002 Å
• α: 108.009 ± 0.0006°
• β: 104.293 ± 0.0006°
• γ: 93.4445 ± 0.0006°
• Cell volume: 4712.21 ± 0.07 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.05
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No