Information card for entry 1557386

Structure parameters

• Formula: C23 H12 Br F6 N
• Calculated formula: C23 H12 Br F6 N
• SMILES: Brc1ccc(cc1)/C(=C/c1ccc(cc1)c1cc(C(F)(F)F)cc(c1)C(F)(F)F)C#N
• Title of publication: Direct micro-scale monitoring of molecular aggregation, its growth and diffusion via aggregation-induced emission.
• Authors of publication: Jyothi, Mane; Annadhasan, Mari; Vinay Pradeep, Vuppu; Chandrasekar, Rajadurai
• Journal of publication: Soft matter
• Year of publication: 2020
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 2664 - 2668
• a: 15.327 ± 0.004 Å
• b: 9.854 ± 0.002 Å
• c: 28.274 ± 0.007 Å
• α: 90°
• β: 104.113 ± 0.009°
• γ: 90°
• Cell volume: 4141.4 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1443
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No