Information card for entry 2108335

Structure parameters

• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• SMILES: Oc1c(c2nc3n(cccc3)c2)ccc(OC)c1
• 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: 14.5448 ± 0.0002 Å
• b: 6.5214 ± 0.0004 Å
• c: 23.8246 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2259.82 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for significantly intense reflections: 1.83
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cukα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes