Information card for entry 8102031

Structure parameters

• Chemical name: pentamethylpyrylium triiodide
• Formula: C10 H15 I3 O
• Calculated formula: C10 H15 I3 O
• Title of publication: Crystal structure of pentamethylpyrylium triiodide, [(CH~3~)~5~C~5~O] [I~3~]
• Authors of publication: Guo, S.; Hauptmann, R.; Beyer, C.; Kollmann, T.; Schneider, J. J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 393 - 394
• a: 13.75 ± 0.003 Å
• b: 7.288 ± 0.0015 Å
• c: 15.14 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1517.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No