Information card for entry 1518626

Structure parameters

• Formula: C24 H17 B Br F2 N3 S
• Calculated formula: C24 H17 B Br F2 N3 S
• SMILES: [B]1(F)(F)N2C(c3cccc4c(Br)ccc2c34)=C(c2[n]1c1c(cc(cc1)C(C)(C)C)s2)C#N
• Title of publication: Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.
• Authors of publication: Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 278 - 281
• a: 11.3331 ± 0.0009 Å
• b: 34.017 ± 0.003 Å
• c: 12.736 ± 0.001 Å
• α: 90°
• β: 109.159 ± 0.001°
• γ: 90°
• Cell volume: 4638 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1374
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.208
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No