Information card for entry 7117193

Structure parameters

• Formula: C19 H14 B F2 N3 S
• Calculated formula: C19 H14 B F2 N3 S
• SMILES: S(c1nc2c(cccc2)cc1C1=c2[n](ccc2)[B](F)(F)n2c1ccc2)C
• Title of publication: Morphological tuning via structural modulations in AIE luminogens with the minimum number of possible variables and their use in live cell imaging
• Authors of publication: Roop Shikha Singh; Rakesh Kumar Gupta; Rajendra Prasad Paitandi; Mrigendra Dubey; Gunjan Sharma; Biplob Koch; Daya Shankar Pandey
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9125
• a: 13.4997 ± 0.0009 Å
• b: 13.9995 ± 0.0007 Å
• c: 10.1052 ± 0.0006 Å
• α: 90°
• β: 111.458 ± 0.008°
• γ: 90°
• Cell volume: 1777.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No