Information card for entry 7029827

Structure parameters

• Formula: C19 H16 B F2 N3 O S
• Calculated formula: C19 H16 B F2 N3 O S
• 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: 8.5735 ± 0.0011 Å
• b: 9.5948 ± 0.0012 Å
• c: 13.8754 ± 0.0018 Å
• α: 89.966 ± 0.002°
• β: 76.129 ± 0.001°
• γ: 63.719 ± 0.001°
• Cell volume: 986.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.2499
• Weighted residual factors for all reflections included in the refinement: 0.2636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No