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Information card for entry 4027898
Preview
Coordinates | 4027898.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H13 N O4 |
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Calculated formula | C14 H13 N O4 |
SMILES | O(C(=O)c1[nH]c(c2ccccc2)cc1C(=O)OC)C |
Title of publication | Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies |
Authors of publication | Simbarashe Ngwerume; William Lewis; Jason E. Camp |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 920 - 934 |
a | 6.9799 ± 0.001 Å |
b | 12.4949 ± 0.0015 Å |
c | 14.4554 ± 0.0014 Å |
α | 79.802 ± 0.009° |
β | 77.061 ± 0.01° |
γ | 81.485 ± 0.011° |
Cell volume | 1201.5 ± 0.3 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0489 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1086 |
Weighted residual factors for all reflections included in the refinement | 0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4027898.html
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