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Information card for entry 1553867
Preview
Coordinates | 1553867.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H20 N O2 |
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Calculated formula | C23 H21 N O2 |
SMILES | OCCc1c([nH]c2c1cccc2)[C@@H](c1c(O)cccc1)c1ccccc1 |
Title of publication | Catalytic asymmetric C2-nucleophilic substitutions of C3-substituted indoles with ortho-hydroxybenzyl alcohols |
Authors of publication | Wu, Jia-Le; Wang, Jing-Yi; Wu, Ping; Mei, Guang-Jian; Shi, Feng |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2017 |
Journal volume | 4 |
Journal issue | 12 |
Pages of publication | 2465 |
a | 18.5578 ± 0.0009 Å |
b | 18.5578 ± 0.0009 Å |
c | 9.8682 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2943.2 ± 0.3 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 4 |
Space group number | 169 |
Hermann-Mauguin space group symbol | P 61 |
Hall space group symbol | P 61 |
Residual factor for all reflections | 0.0543 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.1186 |
Weighted residual factors for all reflections included in the refinement | 0.1284 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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