Information card for entry 7063401

Structure parameters

• Formula: C22 H14 B F5 N2
• Calculated formula: C22 H14 B F5 N2
• 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: 22.4303 ± 0.0008 Å
• b: 7.4381 ± 0.0002 Å
• c: 23.5781 ± 0.0008 Å
• α: 90°
• β: 114.362 ± 0.004°
• γ: 90°
• Cell volume: 3583.5 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No