Information card for entry 8106249

Structure parameters

• Formula: C14 H10 I2 N2 O3
• Calculated formula: C14 H10 I2 N2 O3
• Title of publication: Crystal structure of (E)-2,4-diiodo-6-(4-methyl-2-nitrostyryl)phenol, C14H10I2N2O3
• Authors of publication: Hong, Yong; Liu, Wei; Yan, Heping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 659 - 660
• a: 13.5219 ± 0.0008 Å
• b: 7.2772 ± 0.0004 Å
• c: 15.2709 ± 0.0008 Å
• α: 90°
• β: 96.1761 ± 0.0018°
• γ: 90°
• Cell volume: 1493.96 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No