Information card for entry 7035559

Structure parameters

• Formula: C26 H17 B F2 N2 O
• Calculated formula: C26 H17 B F2 N2 O
• SMILES: F[B]1(F)N2C(=Cc3cccc[n]13)C(=C(c1ccccc1)C2=O)c1cccc2c1cccc2
• Title of publication: Maleimide fused boron-fluorine complexes: synthesis, photophysical and electrochemical properties.
• Authors of publication: Thale, Pranila B.; Borase, Pravin N.; Shankarling, Ganapati S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 13947 - 13954
• a: 11.0852 ± 0.0004 Å
• b: 12.5966 ± 0.0004 Å
• c: 14.335 ± 0.0005 Å
• α: 90°
• β: 98.644 ± 0.001°
• γ: 90°
• Cell volume: 1978.94 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No