Information card for entry 4020370

Structure parameters

• Formula: C14 H26 N4
• Calculated formula: C14 H26 N4
• SMILES: N12CCN3CCCN4CCN(CCC1)C2(C34C)C
• Title of publication: Regioselective N-functionalization of tetraazacycloalkanes.
• Authors of publication: Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7042 - 7053
• a: 7.084 ± 0.0005 Å
• b: 10.3889 ± 0.0005 Å
• c: 8.9091 ± 0.0005 Å
• α: 90°
• β: 98.045 ± 0.001°
• γ: 90°
• Cell volume: 649.2 ± 0.2 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No