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Information card for entry 1542622
Preview
Coordinates | 1542622.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H9 Cl N4 O7 |
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Calculated formula | C14 H9 Cl N4 O7 |
SMILES | Clc1c(N(=O)=O)c2nc(cc3C(=O)N(C)c(c1N(=O)=O)c23)C(=O)OCC |
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 | 8.8587 ± 0.0018 Å |
b | 18.447 ± 0.004 Å |
c | 9.759 ± 0.002 Å |
α | 90° |
β | 110.87 ± 0.03° |
γ | 90° |
Cell volume | 1490.1 ± 0.6 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0433 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0894 |
Weighted residual factors for all reflections included in the refinement | 0.0964 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1542622.html
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