Information card for entry 7706667

Structure parameters

• Formula: C54 H36 B2 F4 N2 O4 S Si2
• Calculated formula: C54 H36 B2 F4 N2 O4 S Si2
• Title of publication: First example of solid-state luminescent borasiloxane-based chiral helices assembled through N-B bonds.
• Authors of publication: Podda, Enrico; Coles, Simon J.; Horton, Peter N.; Lickiss, Paul D.; Bull, Okpara S.; Orton, James B.; Pintus, Anna; Pugh, David; Carla Aragoni, M.; Davies, Robert P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 3782 - 3785
• a: 19.6216 ± 0.0001 Å
• b: 19.6216 ± 0.0001 Å
• c: 23.8883 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9197.17 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No