Information card for entry 4021991

Structure parameters

• Chemical name: 2-phenyl-4-phenyldiazenyl-6-tert-butyl-indazole
• Formula: C23 H22 N4
• Calculated formula: C23 H22 N4
• Title of publication: On the Illusive Nature of o-Formylazobenzenes: Exploiting the Nucleophilicity of the Azo Group for Cyclization to Indazole Derivatives
• Authors of publication: Maike V. Peters; Ragnar S. Stoll; Richard Goddard; Gernot Buth; Stefan Hecht
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 7840 - 7845
• a: 6.173 ± 0.003 Å
• b: 15.424 ± 0.008 Å
• c: 19.545 ± 0.011 Å
• α: 90°
• β: 91.888 ± 0.013°
• γ: 90°
• Cell volume: 1859.9 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1954
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No