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Information card for entry 1542621
Preview
Coordinates | 1542621.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H28 N3 O7.5 |
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Calculated formula | C26 H28 N3 O7.5 |
SMILES | O=C1N(c2c3C1=CC(N(c3ccc2)C(=O)OCC)(NC(=O)OCC)C(=O)OCC)Cc1ccccc1.O |
Title of publication | Annulation Reaction of 3-Acylmethylidene Oxindoles with Huisgen Zwitterions and Its Applications in the Syntheses of Pyrrolo[4,3,2-de]quinolinones and Marine Alkaloids Ammosamides. |
Authors of publication | Yang, Changjiang; Chen, Xiangyu; Tang, Tong; He, Zhengjie |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 6 |
Pages of publication | 1486 - 1489 |
a | 10.42 ± 0.0013 Å |
b | 11.567 ± 0.0015 Å |
c | 12.233 ± 0.0017 Å |
α | 60.629 ± 0.007° |
β | 74.155 ± 0.012° |
γ | 87.858 ± 0.013° |
Cell volume | 1227.9 ± 0.3 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0658 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.1219 |
Weighted residual factors for all reflections included in the refinement | 0.1316 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71075 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/1542621.html
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Users of the data should acknowledge the original authors of the
structural data.