Information card for entry 2108339

Structure parameters

• Formula: C19 H13 B2 Br N2 O3
• Calculated formula: C19 H13 B2 Br N2 O3
• SMILES: Brc1ccc2c3[n]([B]4(OB(O)c5c4cccc5)Oc2c1)c1n(cccc1)c3
• Title of publication: Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid
• Authors of publication: Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 725 - 737
• a: 8.9492 ± 0.0007 Å
• b: 14.5926 ± 0.0012 Å
• c: 15.0762 ± 0.0012 Å
• α: 66.778 ± 0.003°
• β: 82.477 ± 0.003°
• γ: 86.204 ± 0.003°
• Cell volume: 1793.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1069
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for significantly intense reflections: 2.43
• Goodness-of-fit parameter for all reflections included in the refinement: 1.97
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes