Information card for entry 1508605

Structure parameters

• Formula: C17 H17 N O
• Calculated formula: C17 H17 N O
• SMILES: N1c2ccccc2[C@]2([C@@]1(OCC2)C)c1ccccc1.N1c2ccccc2[C@@]2([C@]1(OCC2)C)c1ccccc1
• Title of publication: Copper(I)-catalyzed cascade dearomatization of 2-substituted tryptophols with iodonium [corrected] salts.
• Authors of publication: Liu, Chuan; Zhang, Wei; Dai, Li-Xin; You, Shu-Li
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4525 - 4527
• a: 9.1444 ± 0.0015 Å
• b: 22.89 ± 0.004 Å
• c: 7.0366 ± 0.0012 Å
• α: 90°
• β: 111.33 ± 0.004°
• γ: 90°
• Cell volume: 1372 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No