Information card for entry 1504815

Structure parameters

• Common name: p-iodobenzenediazonium tosylate (15a)
• Formula: C13 H11 I N2 O3 S
• Calculated formula: C13 H11 I N2 O3 S
• SMILES: Ic1ccc([N+]#N)cc1.S(=O)(=O)([O-])c1ccc(cc1)C
• Title of publication: Unusually stable, versatile, and pure arenediazonium tosylates: their preparation, structures, and synthetic applicability.
• Authors of publication: Filimonov, Victor D.; Trusova, Marina; Postnikov, Pavel; Krasnokutskaya, Elena A.; Lee, Young Min; Hwang, Ho Yun; Kim, Hyunuk; Chi, Ki-Whan
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 18
• Pages of publication: 3961 - 3964
• a: 7.678 ± 0.0015 Å
• b: 10.149 ± 0.002 Å
• c: 18.657 ± 0.004 Å
• α: 77.15 ± 0.03°
• β: 88.73 ± 0.03°
• γ: 77.04 ± 0.03°
• Cell volume: 1380.7 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotronradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No