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Information card for entry 4037076
Preview
Coordinates | 4037076.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H29 N O2 |
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Calculated formula | C26 H29 N O2 |
SMILES | [C@H](C)(c1ccccc1)N1CCc2ccccc2[C@@H]1Cc1ccc(c(c1)OC)OC |
Title of publication | Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles. |
Authors of publication | Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 15 |
Pages of publication | 6721 - 6739 |
a | 6.262 ± 0.0005 Å |
b | 8.1188 ± 0.0006 Å |
c | 20.3785 ± 0.0016 Å |
α | 90° |
β | 92.859 ± 0.002° |
γ | 90° |
Cell volume | 1034.75 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0457 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1149 |
Weighted residual factors for all reflections included in the refinement | 0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4037076.html
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