Information card for entry 1504814

Structure parameters

• Common name: p-cyanobenzenediazonium tosylate (12a)
• Formula: C14 H11 N3 O3 S
• Calculated formula: C14 H11 N3 O3 S
• SMILES: S(=O)(=O)([O-])c1ccc(C)cc1.[N+](#N)c1ccc(cc1)C#N
• 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: 5.845 ± 0.0012 Å
• b: 8.847 ± 0.0018 Å
• c: 26.65 ± 0.005 Å
• α: 90°
• β: 94.29 ± 0.03°
• γ: 90°
• Cell volume: 1374.2 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotronradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No