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Information card for entry 4028699
Preview
Coordinates | 4028699.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H29 N O4 |
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Calculated formula | C27 H29 N O4 |
SMILES | O1[C@H](c2c(OC)ccc(OC)c2)[C@@H](N(C)C)c2ccccc2[C@@H]1CC(=O)c1ccccc1.O1[C@@H](c2c(OC)ccc(OC)c2)[C@H](N(C)C)c2ccccc2[C@H]1CC(=O)c1ccccc1 |
Title of publication | Preparation of Polysubstituted Isochromanes by Addition of ortho-Lithiated Aryloxiranes to Enaminones |
Authors of publication | Antonio Salomone; Filippo Maria Perna; Francesca Claudia Sassone; Aurelia Falcicchio; Jure Bezenšek; Jurij Svete; Branko Stanovnik; Saverio Florio; Vito Capriati |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 11059 - 11065 |
a | 21.212 Å |
b | 13.035 Å |
c | 8.79 Å |
α | 90° |
β | 105.71° |
γ | 90° |
Cell volume | 2339.63 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.1773 |
Residual factor for significantly intense reflections | 0.0768 |
Weighted residual factors for significantly intense reflections | 0.1435 |
Weighted residual factors for all reflections included in the refinement | 0.1827 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
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/4028699.html
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