Information card for entry 7126362

Structure parameters

• Formula: C14 H16 B2 F4 N4 O
• Calculated formula: C14 H16 B2 F4 N4 O
• SMILES: F[B]1(F)[N]2[N](=Cc3n1c(c(c3C)CC)C)[B](F)(F)OC=2c1[nH]ccc1
• Title of publication: BOPAHY: a doubly chelated highly fluorescent pyrrole-acyl hydrazone -BF₂ chromophore.
• Authors of publication: Pookkandam Parambil, Shandev; de Jong, Flip; Veys, Koen; Huang, Jianjun; Veettil, Santhini Pulikkal; Verhaeghe, Davy; Van Meervelt, Luc; Escudero, Daniel; Van der Auweraer, Mark; Dehaen, Wim
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 43
• Pages of publication: 5791 - 5794
• a: 8.1042 ± 0.0006 Å
• b: 9.7049 ± 0.0009 Å
• c: 10.4691 ± 0.001 Å
• α: 80.218 ± 0.008°
• β: 86.082 ± 0.008°
• γ: 87.104 ± 0.007°
• Cell volume: 808.9 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0682
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No