Information card for entry 4021252

Structure parameters

• Formula: C13 H16 Cl N5 O6
• Calculated formula: C13 H16 Cl N5 O6
• SMILES: Cl(=O)(=O)(=O)[O-].O=N1=C([N+](=O)C(C1(C)C)(C)C)c1ccc(N=N#N)cc1
• Title of publication: Photolysis and Oxidation of Azidophenyl-Substituted Radicals: Delocalization in Heteroatom-Based Radicals
• Authors of publication: Paul R. Serwinski; Burak Esat; Paul M. Lahti; Yi Liao; Richard Walton; Jiang Lan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 5247 - 5260
• a: 7.6357 ± 0.0002 Å
• b: 16.5403 ± 0.0005 Å
• c: 13.775 ± 0.0005 Å
• α: 90°
• β: 105.379 ± 0.0012°
• γ: 90°
• Cell volume: 1677.44 ± 0.09 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No