Information card for entry 7063398

Structure parameters

• Formula: C21 H13 B F5 N3
• Calculated formula: C21 H13 B F5 N3
• Title of publication: Pyridyl-BODIPY dyes: synthesis, optical properties and adsorption on CdSe quantum dots
• Authors of publication: Martyanova, Elena G.; Martyanov, Timofey P.; Tomilin, Denis N.; Ushakov, Igor A.; Korchagin, Denis V.; Spirin, Maxim G.; Razumov, Vladimir F.; Sobenina, Lyubov N.; Trofimov, Boris A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 34
• Pages of publication: 15036 - 15044
• a: 7.3698 ± 0.0005 Å
• b: 20.7261 ± 0.0015 Å
• c: 11.6141 ± 0.0008 Å
• α: 90°
• β: 99.476 ± 0.006°
• γ: 90°
• Cell volume: 1749.8 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No