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Information card for entry 4514314
Preview
Coordinates | 4514314.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H22 Cl N O5 |
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Calculated formula | C22 H22 Cl N O5 |
SMILES | Clc1ccc2[nH]c(c(c2c1)c1c(=O)oc(cc1O)C)c1ccccc1.OCC.O |
Title of publication | Microwave-Assisted Regioselective Synthesis of 3-Functionalized Indole Derivatives via Three-Component Domino Reaction. |
Authors of publication | Lin, Wei; Zheng, Yong-Xiang; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing |
Journal of publication | ACS combinatorial science |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 11 |
Pages of publication | 708 - 713 |
a | 8.682 ± 0.0007 Å |
b | 11.0069 ± 0.0009 Å |
c | 11.5211 ± 0.0011 Å |
α | 110.581 ± 0.003° |
β | 105.689 ± 0.002° |
γ | 96.208 ± 0.001° |
Cell volume | 966.76 ± 0.15 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.3532 |
Residual factor for significantly intense reflections | 0.2263 |
Weighted residual factors for significantly intense reflections | 0.526 |
Weighted residual factors for all reflections included in the refinement | 0.5961 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.48 |
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/4514314.html
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