Information card for entry 7117194

Structure parameters

• Formula: C23 H23 B F2 N3 S
• Calculated formula: C23 H23 B F2 N3 S
• 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: 16.3271 ± 0.001 Å
• b: 8.327 ± 0.0004 Å
• c: 16.9926 ± 0.0008 Å
• α: 90°
• β: 109.759 ± 0.003°
• γ: 90°
• Cell volume: 2174.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0642
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No