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Information card for entry 4037483
Preview
Coordinates | 4037483.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H17 Cl N2 O |
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Calculated formula | C23 H17 Cl N2 O |
SMILES | Clc1ccc(N2C(=O)n3c4ccccc4c(c3C2c2ccccc2)C)cc1 |
Title of publication | Ag-Catalyzed Intramolecular Sequential Vicinal Diamination of Alkynes with Isocyanates: Synthesis of Fused Indole-Cyclic Urea Derivatives. |
Authors of publication | Rajesh, Manda; Puri, Surendra; Kant, Ruchir; Sridhar Reddy, Maddi |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 10 |
Pages of publication | 5169 - 5177 |
a | 8.55 ± 0.003 Å |
b | 10.09 ± 0.003 Å |
c | 21.776 ± 0.007 Å |
α | 90° |
β | 93.816 ± 0.008° |
γ | 90° |
Cell volume | 1874.4 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1004 |
Residual factor for significantly intense reflections | 0.0525 |
Weighted residual factors for significantly intense reflections | 0.1341 |
Weighted residual factors for all reflections included in the refinement | 0.1508 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71075 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/4037483.html
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