Information card for entry 7225516

Structure parameters

• Formula: C23 H16 B Br F4 O
• Calculated formula: C23 H16 B Br F4 O
• SMILES: Brc1ccc(c2cc([o+]c(c2)c2ccccc2)c2ccccc2)cc1.[B](F)(F)(F)[F-]
• Title of publication: Characterization of amine stabilized CdSe/ZnS core‒shell quantum dots by using triarylpyrylium dyes
• Authors of publication: Beltrán, Alicia; Burguete, M. Isabel; Luis, Santiago V.; Galindo, Francisco
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 61
• Pages of publication: 56064
• a: 13.5265 ± 0.0004 Å
• b: 9.8137 ± 0.0003 Å
• c: 15.2162 ± 0.0004 Å
• α: 90°
• β: 95.234 ± 0.003°
• γ: 90°
• Cell volume: 2011.45 ± 0.1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• 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: 0.1292
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2916
• Weighted residual factors for all reflections included in the refinement: 0.3051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.439
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No