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Information card for entry 4034644
Preview
Coordinates | 4034644.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H10 N2 O |
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Calculated formula | C11 H10 N2 O |
SMILES | O=C1N2N3C[C@H]3C[C@@H]2c2c1cccc2.O=C1N2N3C[C@@H]3C[C@H]2c2c1cccc2 |
Title of publication | Tin Powder-Promoted Cascade Condensation/Allylation/Lactamization: Synthesis of Isoindolinones and Pyrazoloisoindol-8-ones. |
Authors of publication | Wang, Xiaoping; Huang, Danfeng; Wang, Ke-Hu; Su, Yingpeng; Hu, Yulai |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 11 |
Pages of publication | 6946 - 6961 |
a | 17.28 ± 0.004 Å |
b | 7.0153 ± 0.0011 Å |
c | 7.3724 ± 0.001 Å |
α | 90° |
β | 102.57 ± 0.02° |
γ | 90° |
Cell volume | 872.3 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273.15 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 | 0.0476 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.1112 |
Weighted residual factors for all reflections included in the refinement | 0.1152 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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