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Information card for entry 7213304
Preview
Coordinates | 7213304.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H16 N2 O3 |
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Calculated formula | C16 H16 N2 O3 |
SMILES | O=C1C(=C2NCCN2/C1=C\C(=O)OCC)c1ccccc1 |
Title of publication | Synthesis of imidazo[1,2-a]pyridines from unactivated 2-alkyl-4,5-dihydroimidazoles through conjugate N-addition |
Authors of publication | Jones, Raymond C. F.; Dimopoulos, Paschalis; Coles, Simon C.; Light, Mark E.; Hursthouse, Michael B. |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
Year of publication | 2000 |
Journal issue | 15 |
Pages of publication | 2331 |
a | 7.176 ± 0.001 Å |
b | 17.805 ± 0.004 Å |
c | 20.947 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2676.4 ± 0.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1387 |
Residual factor for significantly intense reflections | 0.0576 |
Weighted residual factors for significantly intense reflections | 0.1218 |
Weighted residual factors for all reflections included in the refinement | 0.1595 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.815 |
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/7213304.html
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