Information card for entry 2108337

Structure parameters

• Formula: C22 H20 B2 N2 O4
• Calculated formula: C22 H20 B2 N2 O4
• SMILES: [n]12[B]3(OB(O)c4ccccc34)Oc3c(c2cn2c1cccc2)cccc3.O=C(C)C
• 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: 10.7147 ± 0.0011 Å
• b: 34.282 ± 0.003 Å
• c: 10.9168 ± 0.0011 Å
• α: 90°
• β: 93.176 ± 0.002°
• γ: 90°
• Cell volume: 4003.8 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1796
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for significantly intense reflections: 1.39
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes