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Information card for entry 4037072
Preview
Coordinates | 4037072.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 N O2 |
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Calculated formula | C19 H21 N O2 |
SMILES | N12CCc3ccccc3[C@@H]1Cc1cc(OC)c(OC)cc1C2 |
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 | 7.4284 ± 0.0002 Å |
b | 9.2229 ± 0.0002 Å |
c | 22.4749 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1539.79 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0379 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0812 |
Weighted residual factors for all reflections included in the refinement | 0.0838 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/4037072.html
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