Information card for entry 7157305

Structure parameters

• Formula: C14 H8 I2 N2
• Calculated formula: C14 H8 I2 N2
• Title of publication: Hypervalent iodine promoted ortho diversification: 2-aryl benzimidazole, quinazoline and imidazopyridine as directing templates.
• Authors of publication: Saha, Moumita; Das, Asish R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 941 - 955
• a: 7.7487 ± 0.0017 Å
• b: 8.3925 ± 0.0019 Å
• c: 21.639 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1407.2 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No