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Information card for entry 7113917
Preview
Coordinates | 7113917.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H23 Br N2 O2 |
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Calculated formula | C24 H23 Br N2 O2 |
SMILES | Brc1ccc([C@@H]2[C@@]3([C@H](C=C(C2)C)C[C@@H](N(C3=O)Cc2ccccc2)O)C#N)cc1 |
Title of publication | Organocatalytic cascade reactions: diversity-oriented synthesis for the construction of hydroisoquinoline scaffolds |
Authors of publication | Clarisa Villegas Gomez; David Cruz Cruz; Rasmus Mose; Karl Anker Jorgensen |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 6035 |
a | 10.6176 ± 0.0008 Å |
b | 11.3209 ± 0.0007 Å |
c | 17.5317 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2107.3 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
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 | 0.0283 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0538 |
Weighted residual factors for all reflections included in the refinement | 0.0554 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.56085 Å |
Diffraction radiation type | AgKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7113917.html
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Users of the data should acknowledge the original authors of the
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