Information card for entry 1545171

Structure parameters

• Common name: Tsuchida-02
• Formula: C20 H17 N2 O4
• Calculated formula: C20 H18 N2 O4
• SMILES: c12ccccc1c1c([C@@H]([C@H]([C@H]1c1ccccc1)N(=O)=O)CC(=O)OC)[nH]2
• Title of publication: Catalytic Asymmetric Synthesis of Chiral 2-Vinylindole Scaffolds by Friedel-Crafts Reaction.
• Authors of publication: Arai, Takayoshi; Tsuchida, Akiko; Miyazaki, Tomoya; Awata, Atsuko
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 758 - 761
• a: 32.711 ± 0.005 Å
• b: 5.6403 ± 0.0007 Å
• c: 9.9643 ± 0.0013 Å
• α: 90°
• β: 107.296 ± 0.003°
• γ: 90°
• Cell volume: 1755.3 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0496
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No