Information card for entry 1504849

Structure parameters

• Formula: C26 H20 N2 O5
• Calculated formula: C26 H20 N2 O5
• SMILES: O[C@]1(c2ccccc2N=C1c1ccccc1)C[C@H](N1C(=O)c2ccccc2C1=O)C(=O)OC
• Title of publication: Stereoselective oxidative rearrangement of 2-aryl tryptamine derivatives.
• Authors of publication: Movassaghi, Mohammad; Schmidt, Michael A.; Ashenhurst, James A.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 18
• Pages of publication: 4009 - 4012
• a: 9.5418 ± 0.0003 Å
• b: 13.7866 ± 0.0004 Å
• c: 15.7652 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2073.9 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0813
• 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