Information card for entry 4020492

Structure parameters

• Common name: diaF4-(15R,17S)
• Formula: C28 H36 N2
• Calculated formula: C28 H36 N2
• SMILES: N1([C@@H]2CC[C@@]3([C@H]1[C@@]1(C[C@H]2[C@H]3N(C1)[C@@H](C)c1ccccc1)C)C)[C@H](C)c1ccccc1.N1([C@H]2CC[C@]3([C@@H]1[C@]1(C[C@@H]2[C@@H]3N(C1)[C@H](C)c1ccccc1)C)C)[C@@H](C)c1ccccc1
• Title of publication: New Polycyclic Diamine Scaffolds from Dimerization of 3-Alkyl-1,4-dihydropyridines in Acidic Medium
• Authors of publication: Karine Jakubowicz; Yung-Sing Wong; Angèle Chiaroni; Michel Bénéchie; Christian Marazano
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7780 - 7783
• a: 18.322 ± 0.012 Å
• b: 8.456 ± 0.005 Å
• c: 16.45 ± 0.01 Å
• α: 90°
• β: 114.74 ± 0.02°
• γ: 90°
• Cell volume: 2314.7 ± 2.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No