Information card for entry 4034211

Structure parameters

• Common name: Tert-butyldimethylsilyl (TBDMS)-protected borazine
• Formula: C61.5 H87 B3 N3 O3.5 Si3
• Calculated formula: C61.5 H87 B3 N3 O3.5 Si3
• Title of publication: Photoactive Boron-Nitrogen-Carbon Hybrids: From Azo-borazines to Polymeric Materials.
• Authors of publication: Oubaha, Hamid; Demitri, Nicola; Rault-Berthelot, Joëlle; Dubois, Philippe; Coulembier, Olivier; Bonifazi, Davide
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 14
• Pages of publication: 9101 - 9116
• a: 10.84 ± 0.002 Å
• b: 17.26 ± 0.003 Å
• c: 18.41 ± 0.004 Å
• α: 114.82 ± 0.01°
• β: 95.05 ± 0.006°
• γ: 91 ± 0.006°
• Cell volume: 3108.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No