Information card for entry 4020230

Structure parameters

• Formula: C24 H42 N2 O4
• Calculated formula: C24 H42 N2 O4
• SMILES: [O-]C(=O)[C@H]1N([C@H](CC1)C=C)C(=O)OC(C)(C)C.[NH2+](C1CCCCC1)C1CCCCC1
• Authors of publication: Jacques Eustache; Pierre Van de Weghe; Didier Le Nouen; Hiroshi Uyehara; Chizuko Kabuto; Yoshinori Yamamoto
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4043 - 4053
• a: 12.992 ± 0.003 Å
• b: 10.203 ± 0.003 Å
• c: 18.76 ± 0.005 Å
• α: 90°
• β: 100.518 ± 0.0011°
• γ: 90°
• Cell volume: 2445 ± 1.1 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No