Information card for entry 7029826

Structure parameters

• Formula: C13 H8 B F2 N3 O
• Calculated formula: C13 H8 B F2 N3 O
• SMILES: [B]1(F)(F)N2C(=O)c3ccccc3C2=Nc2cccc[n]12
• Title of publication: Facile synthesis of highly fluorescent BF2 complexes bearing isoindolin-1-one ligand.
• Authors of publication: Gao, Naixun; Cheng, Chi; Yu, Changjiang; Hao, Erhong; Wang, Shengyuan; Wang, Jun; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7121 - 7127
• a: 7.1363 ± 0.0008 Å
• b: 8.4833 ± 0.0009 Å
• c: 19.643 ± 0.002 Å
• α: 90°
• β: 99.414 ± 0.001°
• γ: 90°
• Cell volume: 1173.2 ± 0.2 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: 0.0474
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No