Information card for entry 7117195

Structure parameters

• Formula: C20 H16 B F2 N3 O S
• Calculated formula: C20 H16 B F2 N3 O S
• SMILES: S(c1nc2c(cc1C1=c3[n](ccc3)[B](F)(F)n3c1ccc3)cc(OC)cc2)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: 10.5497 ± 0.0015 Å
• b: 19.995 ± 0.003 Å
• c: 9.2865 ± 0.0015 Å
• α: 90°
• β: 104.898 ± 0.015°
• γ: 90°
• Cell volume: 1893.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1226
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No