Information card for entry 7132163

Structure parameters

• Chemical name: 1,8-Diiodo-9,10-BN-Naphthalene
• Formula: C24 H18 B3 I6 N3
• Calculated formula: C24 H18 B3 I6 N3
• 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: 8.561 ± 0.004 Å
• b: 13.824 ± 0.006 Å
• c: 14.98 ± 0.005 Å
• α: 109.617 ± 0.009°
• β: 106.009 ± 0.009°
• γ: 102.214 ± 0.007°
• Cell volume: 1511.9 ± 1.1 ų
• Cell temperature: 283 ± 2 K
• Ambient diffraction temperature: 283 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No