Information card for entry 7133081

Structure parameters

• Chemical name: Thienyl-thiazole-PPAB
• Formula: C38 H46 B2 F4 N6 S4
• Calculated formula: C38 H46 B2 F4 N6 S4
• Title of publication: Far-red fluorescence and chiroptical properties of pyrrolopyrrole aza-BODIPYs induced by the <i>B</i>,<i>O</i>-chelation.
• Authors of publication: Fukami, Shuhei; Mori, Shigeki; Harada, Takunori; Shimizu, Soji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 48
• Pages of publication: 6170 - 6173
• a: 7.7011 ± 0.0003 Å
• b: 11.6851 ± 0.0006 Å
• c: 11.8911 ± 0.0006 Å
• α: 75.307 ± 0.004°
• β: 71.596 ± 0.004°
• γ: 76.096 ± 0.004°
• Cell volume: 967.05 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No