Information card for entry 1518622

Structure parameters

• Formula: C15 H10 B F2 N3 S
• Calculated formula: C15 H10 B F2 N3 S
• SMILES: [B]1(F)(F)N2C(=CSC2=Nc2[n]1c1cccc3cccc2c13)C
• 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: 7.9215 ± 0.0009 Å
• b: 14.0077 ± 0.0015 Å
• c: 25.071 ± 0.003 Å
• α: 90°
• β: 102.609 ± 0.003°
• γ: 90°
• Cell volume: 2714.8 ± 0.5 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: 0.0845
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No