Information card for entry 3500089

Structure parameters

• Chemical name: 1-iodo-4-methoxybenzene
• Formula: C7 H7 I O
• Calculated formula: C7 H7 I O
• Title of publication: 1-iodo-4-methoxybenzene
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2020
• a: 6.2275 ± 0.0002 Å
• b: 7.2083 ± 0.0002 Å
• c: 16.8213 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 755.1 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes