Information card for entry 7225515

Structure parameters

• Formula: C24 H17 B F4 O3
• Calculated formula: C24 H16 B F4 O3
• SMILES: [o+]1c(c2ccccc2)cc(c2ccc(C(=O)O)cc2)cc1c1ccccc1.[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: 7.1387 ± 0.0003 Å
• b: 16.6302 ± 0.0005 Å
• c: 17.1016 ± 0.0006 Å
• α: 90°
• β: 100.004 ± 0.004°
• γ: 90°
• Cell volume: 1999.4 ± 0.13 ų
• Cell temperature: 148 ± 80 K
• Ambient diffraction temperature: 148 ± 80 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No