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Information card for entry 4106054
Preview
Coordinates | 4106054.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H24 Br N O4 |
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Calculated formula | C26 H24 Br N O4 |
SMILES | Brc1ccc2CC([C@H](c3ccccc3)N(c2c1)Cc1ccccc1)(C(=O)OC)C(=O)OC |
Title of publication | Selective Activation of Enantiotopic C(sp3)-Hydrogen by Means of Chiral Phosphoric Acid: Asymmetric Synthesis of Tetrahydroquinoline Derivatives |
Authors of publication | Keiji Mori; Kensuke Ehara; Kazuki Kurihara; Takahiko Akiyama |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 6166 - 6169 |
a | 14.167 ± 0.004 Å |
b | 9.762 ± 0.002 Å |
c | 16.468 ± 0.004 Å |
α | 90° |
β | 92.121 ± 0.003° |
γ | 90° |
Cell volume | 2275.9 ± 1 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0625 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.0839 |
Weighted residual factors for all reflections included in the refinement | 0.0904 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4106054.html
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Users of the data should acknowledge the original authors of the
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