Information card for entry 4020813

Structure parameters

• Formula: C21 H28 N4 O7
• Calculated formula: C21 H28 N4 O7
• SMILES: c1([O-])c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.[nH+]1c(c(c(c(c1C(C)C)C)CC)C)C(C)C
• Title of publication: Simple Synthesis of a Weak Nucleophilic Base (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine) Evidencing a Double Janus Group Effect
• Authors of publication: Alexandru T. Balaban; Ion Ghiviriga; Edmund W. Czerwinski; Priyadarsi De; Rudolf Faust
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 536 - 542
• a: 8.969 ± 0.001 Å
• b: 12.185 ± 0.002 Å
• c: 20.729 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2265.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P c 21 n
• Hall space group symbol: P -2n -2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No