Information card for entry 7132166

Structure parameters

• Formula: C16 H10 B2 I4 N4 O4
• Calculated formula: C16 H10 B2 I4 N4 O4
• Title of publication: Copper-Catalyzed Nitration of Electron-Deficient BN-Naphthalene
• Authors of publication: Fang, Xiangdong
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 7.8145 ± 0.0007 Å
• b: 8.1585 ± 0.0007 Å
• c: 17.1814 ± 0.0015 Å
• α: 82.588 ± 0.003°
• β: 89.88 ± 0.003°
• γ: 85.833 ± 0.003°
• Cell volume: 1083.34 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0541
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No