Information card for entry 7120834

Structure parameters

• Formula: C29 H31 N3 O8
• Calculated formula: C29 H31 N3 O8
• SMILES: O1[C@H]2N(c3c([C@]2(CC1)c1cc(NC(=O)OC(C)(C)C)ccc1OC)cccc3)C(=O)c1ccc(N(=O)=O)cc1.O
• Title of publication: Catalytic asymmetric chemodivergent arylative dearomatization of tryptophols
• Authors of publication: Ma, Chun; Zhang, Ting; Zhou, Jia-Yu; Mei, Guang-Jian; Shi, Feng
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 13.172 ± 0.003 Å
• b: 6.6186 ± 0.0008 Å
• c: 16.673 ± 0.003 Å
• α: 90°
• β: 112.481 ± 0.018°
• γ: 90°
• Cell volume: 1343.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No