Information card for entry 1100380

Structure parameters

• Formula: C27 H30 N2
• Calculated formula: C27 H30 N2
• SMILES: N#C[C@@H]([C@@H](N(Cc1ccccc1)Cc1ccccc1)C(C)C)Cc1ccccc1
• Title of publication: Stereoselective synthesis of β-amino nitriles and 1,3-diamines
• Authors of publication: Reetz, Manfred T.; Kayser, Frank; Harms, Klaus
• Journal of publication: Tetrahedron Letters
• Year of publication: 1994
• Journal volume: 35
• Journal issue: 47
• Pages of publication: 8769 - 8772
• a: 33.466 ± 0.004 Å
• b: 6.977 ± 0.001 Å
• c: 9.89 ± 0.002 Å
• α: 90°
• β: 96.73 ± 0.01°
• γ: 90°
• Cell volume: 2293.33 ų
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No