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Information card for entry 1554549
Preview
Coordinates | 1554549.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H16 N2 O |
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Calculated formula | C19 H16 N2 O |
SMILES | O=C1Nc2c(C1(c1[nH]ccc1)Cc1ccccc1)cccc2 |
Title of publication | Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles |
Authors of publication | Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 2 |
Pages of publication | 256 |
a | 8.802 ± 0.0005 Å |
b | 9.9463 ± 0.0007 Å |
c | 10.213 ± 0.0008 Å |
α | 116.522 ± 0.007° |
β | 100.853 ± 0.006° |
γ | 103.243 ± 0.005° |
Cell volume | 734.13 ± 0.11 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 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 | 0.0591 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.1137 |
Weighted residual factors for all reflections included in the refinement | 0.123 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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