Information card for entry 4020642

Structure parameters

• Formula: C28 H33 N3
• Calculated formula: C28 H33 N3
• SMILES: N1(C(=N[C@H](Cc2ccccc2)[C@H]1CNCc1ccccc1)C(C)C)Cc1ccccc1
• Title of publication: Selective Ring-Opening of Nonactivated Amino Aziridines by Thiols and Unusual Nucleophilic Substitution of a Dibenzylamino Group
• Authors of publication: José M. Concellón; Pablo L. Bernad; José Ramón Suárez; Santiago García-Granda; M. Rosario Díaz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9411 - 9416
• a: 10.1911 ± 0.0017 Å
• b: 11.815 ± 0.002 Å
• c: 19.571 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2356.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No