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Information card for entry 1547091
Preview
Coordinates | 1547091.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 3-alkylated indole |
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Chemical name | (S)-2-(2-methyl-1H-indol-3-yl)-1,4-diphenylbutane-1,4-dione |
Formula | C25 H21 N O2 |
Calculated formula | C25 H21 N O2 |
SMILES | O=C([C@H](c1c2c([nH]c1C)cccc2)CC(=O)c1ccccc1)c1ccccc1 |
Title of publication | Fiaud's Acid: A Brønsted Acid Catalyst for Enantioselective Friedel-Crafts Alkylation of Indoles with 2-Alkene-1,4-diones. |
Authors of publication | Chatterjee, Sourav; Hintermann, Lukas; Mandal, Madhumita; Achari, Anushree; Gupta, Sreya; Jaisankar, Parasuraman |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 13 |
Pages of publication | 3426 - 3429 |
a | 12.2212 ± 0.0012 Å |
b | 13.1633 ± 0.0013 Å |
c | 12.165 ± 0.0011 Å |
α | 90° |
β | 89.91 ± 0.005° |
γ | 90° |
Cell volume | 1957 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 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 | 0.1198 |
Residual factor for significantly intense reflections | 0.0613 |
Weighted residual factors for significantly intense reflections | 0.1561 |
Weighted residual factors for all reflections included in the refinement | 0.2207 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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