Information card for entry 4026756

Structure parameters

• Chemical name: Methyl 2-{(E)-[4-(2-tert-butoxy-2-oxoethyl)phenyl]diazenyl}-2-methyl propanoate
• Formula: C17 H24 N2 O4
• Calculated formula: C17 H24 N2 O4
• SMILES: O=C(OC)C(N=Nc1ccc(cc1)CC(=O)OC(C)(C)C)(C)C
• Title of publication: Synthesis of Mutual Azo Prodrugs of Anti-inflammatory Agents and Peptides Facilitated by α-Aminoisobutyric Acid
• Authors of publication: David A. Kennedy; Nagarajan Vembu; Frank R. Fronczek; Marc Devocelle
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 9641 - 9647
• a: 9.1381 ± 0.0006 Å
• b: 23.089 ± 0.0009 Å
• c: 8.4213 ± 0.0006 Å
• α: 90°
• β: 95.317 ± 0.003°
• γ: 90°
• Cell volume: 1769.16 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2334
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No