Information card for entry 4034209

Structure parameters

• Common name: Azo-borazine-3
• Formula: C78 H66 B3 N9
• Calculated formula: C78 H66 B3 N9
• 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: 20.221 ± 0.004 Å
• b: 20.797 ± 0.004 Å
• c: 15.506 ± 0.003 Å
• α: 90°
• β: 92.56 ± 0.03°
• γ: 90°
• Cell volume: 6514 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1509
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.2874
• Weighted residual factors for all reflections included in the refinement: 0.3449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No