Information card for entry 7040257

Structure parameters

• Common name: 14
• Chemical name: 14
• Formula: C11 H10 N6 O11
• Calculated formula: C11 H10 N6 O11
• Title of publication: Electrophilic iodination: a gateway to high iodine compounds and energetic materials.
• Authors of publication: Chand, Deepak; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13827 - 13833
• a: 7.8304 ± 0.0007 Å
• b: 9.3182 ± 0.0008 Å
• c: 12.2176 ± 0.0011 Å
• α: 102.459 ± 0.003°
• β: 104.03 ± 0.003°
• γ: 100.776 ± 0.003°
• Cell volume: 817.12 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No