Information card for entry 7100039

Structure parameters

• Formula: C26 H25 N
• Calculated formula: C26 H25 N
• SMILES: [C@@H]12c3c(cccc3)[C@H](c3ccc(cc3)C)CN2Cc2c(cccc2)C(=C)C1.[C@H]12c3c(cccc3)[C@@H](c3ccc(cc3)C)CN2Cc2c(cccc2)C(=C)C1
• Title of publication: Bimetallic Catalytic Synthesis of Annelated Benzazepines
• Authors of publication: R.E.Grigg; Laura Cleghorn; Colin Kilner; William S. MacLachlan; V. Sridharan
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 10.374 ± 0.0002 Å
• b: 19.283 ± 0.0007 Å
• c: 9.733 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1947.01 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No