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Information card for entry 4033303
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4033303.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H33 N O4 |
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Calculated formula | C27 H33 N O4 |
SMILES | O1[C@@H](OCCCCCC)[C@@H]2OC(O[C@@H]2[C@H]1c1nc2ccc(cc2c2c1cccc2)C)(C)C |
Title of publication | Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Radical Decarboxylation of Uronic Acids. |
Authors of publication | Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 2 |
Pages of publication | 588 - 603 |
a | 12.0215 ± 0.0004 Å |
b | 13.0351 ± 0.0005 Å |
c | 29.9074 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4686.5 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0676 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for significantly intense reflections | 0.1341 |
Weighted residual factors for all reflections included in the refinement | 0.1467 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
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/4033303.html
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Users of the data should acknowledge the original authors of the
structural data.