Information card for entry 1503076

Structure parameters

• Formula: C17 H23 N O
• Calculated formula: C17 H23 N O
• SMILES: O=C(Nc1ccccc1)C(C)([C@H]1C[C@@H]2CC[C@H]1C2)C.O=C(Nc1ccccc1)C(C)([C@@H]1C[C@H]2CC[C@@H]1C2)C
• Title of publication: Regioselective carboindation of simple alkenes with indium tribromide and ketene silyl acetals.
• Authors of publication: Nishimoto, Yoshihiro; Ueda, Hiroki; Inamoto, Yoshihiro; Yasuda, Makoto; Baba, Akio
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 3390 - 3393
• a: 9.73374 ± 0.00019 Å
• b: 10.3541 ± 0.0002 Å
• c: 15.0615 ± 0.0003 Å
• α: 90°
• β: 82.338 ± 0.0011°
• γ: 90°
• Cell volume: 1504.41 ± 0.05 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No