Information card for entry 4336146

Structure parameters

• Formula: C20 H13 B Cl F N2 O
• Calculated formula: C20 H13 B Cl F N2 O
• SMILES: c1(c(cccn1)[B]1(c2ccccc2)Oc2ccc(c3ccc[n]1c23)Cl)F
• Title of publication: Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices
• Authors of publication: Grzegorz Wesela-Bauman; Paulina Ciećwierz; Krzysztof Durka; Sergiusz Luliński; Janusz Serwatowski; Krzysztof Woźniak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10846 - 10859
• a: 6.0002 ± 0.0007 Å
• b: 22.295 ± 0.003 Å
• c: 12.1967 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1631.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections: 0.1021
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No