Information card for entry 7701568

Structure parameters

• Chemical name: (2?-(2??-oxyphenyl)-benzothiazolato)-9-borafluorene
• Formula: C25 H16 B N O S
• Calculated formula: C25 H16 B N O S
• 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: 12.3956 ± 0.0001 Å
• b: 10.4119 ± 0.0001 Å
• c: 15.3378 ± 0.0002 Å
• α: 90°
• β: 106.166 ± 0.001°
• γ: 90°
• Cell volume: 1901.25 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No