Information card for entry 1502871

Structure parameters

• Formula: C34 H31 Br N2 O2
• Calculated formula: C34 H31 Br N2 O2
• SMILES: Brc1ccc([C@H]([C@H](/N=C(/c2ccccc2)c2ccccc2)C(=O)OC(C)(C)C)c2c[nH]c3c2cccc3)cc1
• Title of publication: Ag-Catalyzed diastereo- and enantioselective synthesis of beta-substituted tryptophans from sulfonylindoles.
• Authors of publication: Zheng, Bao-Hui; Ding, Chang-Hua; Hou, Xue-Long; Dai, Li-Xin
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1688 - 1691
• a: 10.7635 ± 0.0012 Å
• b: 10.9523 ± 0.0012 Å
• c: 25.753 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3035.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1164
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No