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Information card for entry 1555331
Preview
Coordinates | 1555331.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H22 N2 O2 |
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Calculated formula | C18 H22 N2 O2 |
SMILES | C1CC2(CC1)C(=O)/C(=C/N(C)C)OC\2=N/c1ccc(C)cc1 |
Title of publication | Phenyliodine(III) Diacetate Mediated Oxidative Cyclization of 1-Alkenoyl-1-carbamoyl Cycloalkanes: Access to Spiro-Fused Dihydrofuran-3(2H)-ones. |
Authors of publication | Yuan, Jingwen; Zhang, Qian; Yu, Mangfei; Huang, Peng; Zhang, Rui; Dong, Dewen |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 20 |
Pages of publication | 5012 - 5015 |
a | 8.34 ± 0.011 Å |
b | 25.16 ± 0.03 Å |
c | 8.134 ± 0.01 Å |
α | 90° |
β | 109.63 ± 0.02° |
γ | 90° |
Cell volume | 1608 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.2259 |
Residual factor for significantly intense reflections | 0.0841 |
Weighted residual factors for significantly intense reflections | 0.2134 |
Weighted residual factors for all reflections included in the refinement | 0.3043 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1555331.html
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