Information card for entry 7046223

Structure parameters

• Formula: C23 H16 B N S
• Calculated formula: C23 H16 B N S
• Title of publication: Boron-based donor-spiro-acceptor compounds exhibiting thermally activated delayed fluorescence (TADF).
• Authors of publication: Stanoppi, Marco; Lorbach, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10394 - 10398
• a: 8.6076 ± 0.0003 Å
• b: 9.45 ± 0.0005 Å
• c: 10.8046 ± 0.0004 Å
• α: 90°
• β: 99.428 ± 0.003°
• γ: 90°
• Cell volume: 866.99 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0303
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No