Information card for entry 4020132

Structure parameters

• Formula: C7 H12 I N O
• Calculated formula: C7 H12 I N O
• Authors of publication: Li Liu; Qian Chen; Yun-Dong Wu; Chaozhong Li
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 1539 - 1544
• a: 4.919 ± 0.005 Å
• b: 7.728 ± 0.007 Å
• c: 12.222 ± 0.012 Å
• α: 75.244 ± 0.016°
• β: 83.76 ± 0.017°
• γ: 78.475 ± 0.017°
• Cell volume: 439.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.046
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No