Information card for entry 4020039

Structure parameters

• Formula: C50 H34 I6
• Calculated formula: C50 H34 I6
• Authors of publication: Kenji Kobayashi; Norifumi Kobayashi; Masahiro Ikuta; Bruno Therrien; Shigeru Sakamoto; Kentaro Yamaguchi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 749 - 752
• a: 15.627 ± 0.003 Å
• b: 15.627 ± 0.003 Å
• c: 9.717 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2373 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.197
• 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: No
• Has Fobs: No