Information card for entry 7701570

Structure parameters

• Chemical name: (8?-oxyquinolinato)-9-borafluorene
• Formula: C21 H14 B N O
• Calculated formula: C21 H14 B N O
• Title of publication: The effect of locking π-conjugation in organoboron moieties in the structures of luminescent tetracoordinate boron complexes.
• Authors of publication: Urban, Mateusz; Durka, Krzysztof; Górka, Patrycja; Wiosna-Sałyga, Gabriela; Nawara, Krzysztof; Jankowski, Piotr; Luliński, Sergiusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8642 - 8663
• a: 12.5739 ± 0.0007 Å
• b: 15.628 ± 0.0009 Å
• c: 16.2194 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3187.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No