Information card for entry 4020437

Structure parameters

• Formula: C18 H18 O
• Calculated formula: C18 H18 O
• SMILES: O=C(c1cccc2C[C@@H]([C@H](c12)c1ccccc1)C)C.O=C(c1cccc2C[C@H]([C@@H](c12)c1ccccc1)C)C
• Title of publication: Annulation of Aromatic Imines via Directed C-H Bond Activation
• Authors of publication: Reema K. Thalji; Kateri A. Ahrendt; Robert G. Bergman; Jonathan A. Ellman
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6775 - 6781
• a: 5.9344 ± 0.0002 Å
• b: 24.3093 ± 0.0009 Å
• c: 9.4231 ± 0.0004 Å
• α: 90°
• β: 98.668 ± 0.001°
• γ: 90°
• Cell volume: 1343.86 ± 0.09 ų
• Cell temperature: 150.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No