Information card for entry 7106156

Structure parameters

• Formula: C26 H30 B2 N6 O2
• Calculated formula: C26 H30 B2 N6 O2
• Title of publication: New Polycyclic Borazine Species
• Authors of publication: Xiaochen Xie; Mairi F. Haddow; Stephen M. Mansell; Nicholas C. Norman; Christopher A. Russell
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3748
• a: 12.8216 ± 0.0007 Å
• b: 13.9708 ± 0.0008 Å
• c: 14.501 ± 0.0008 Å
• α: 90°
• β: 104.001 ± 0.003°
• γ: 90°
• Cell volume: 2520.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.2216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No