Information card for entry 1508587

Structure parameters

• Formula: C28 H19 N O
• Calculated formula: C28 H19 N O
• SMILES: c12ccccc1ccc1c2[C@@]2(c3ccccc3C(=O)C=C2)N=C1c1ccc(C)cc1
• Title of publication: Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings.
• Authors of publication: Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3550 - 3553
• a: 14.8671 ± 0.0005 Å
• b: 11.2207 ± 0.0004 Å
• c: 12.8259 ± 0.0005 Å
• α: 90°
• β: 111.942 ± 0.002°
• γ: 90°
• Cell volume: 1984.62 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1507893
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No