Information card for entry 7701036

Structure parameters

• Formula: C44 H35 B F2 N2 O3
• Calculated formula: C44 H35 B F2 N2 O3
• Title of publication: Fluorescent BF₂ complexes of pyridyl-isoindoline-1-ones: synthesis, characterization and their distinct response to mechanical force.
• Authors of publication: Liu, Meifang; Han, Yi; Yuan, Wei; Guo, Changxiang; Shi, Shiling; Liu, Xia; Chen, Yulan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14626 - 14631
• a: 10.517 ± 0.002 Å
• b: 11.328 ± 0.002 Å
• c: 15.112 ± 0.003 Å
• α: 88.4 ± 0.03°
• β: 84.21 ± 0.03°
• γ: 77.1 ± 0.03°
• Cell volume: 1746 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No