Information card for entry 4021061

Structure parameters

• Formula: C17 H28 N4
• Calculated formula: C17 H28 N4
• SMILES: n1c(c2nc([nH]c2nc1)CCC(C)(C)C)CCC(C)(C)C
• Title of publication: Intermolecular Coupling of Alkenes to Heterocycles via C-H Bond Activation
• Authors of publication: Kian L. Tan; Steve Park; Jonathan A. Ellman; Robert G. Bergman
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 7329 - 7335
• a: 6.0001 ± 0.0002 Å
• b: 12.2626 ± 0.0005 Å
• c: 12.4228 ± 0.0002 Å
• α: 74.897 ± 0.003°
• β: 77.983 ± 0.002°
• γ: 79.092 ± 0.002°
• Cell volume: 854.26 ± 0.05 ų
• Cell temperature: 143.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No