Information card for entry 1502144

Structure parameters

• Formula: C22 H17 N O
• Calculated formula: C22 H17 N O
• SMILES: O1[C@@H]2c3ccccc3[C@@H](N=C2c2ccc(cc2)C)c2ccccc12.O1[C@H]2c3ccccc3[C@H](N=C2c2ccc(cc2)C)c2ccccc12
• Title of publication: Silver triflate catalyzed reaction of 2-alkynylbenzaldoxime with aryne.
• Authors of publication: Ren, Hui; Luo, Yong; Ye, Shengqing; Wu, Jie
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 2552 - 2555
• a: 5.997 ± 0.006 Å
• b: 19.04 ± 0.019 Å
• c: 14.366 ± 0.015 Å
• α: 90°
• β: 90.985 ± 0.013°
• γ: 90°
• Cell volume: 1640 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No