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Information card for entry 4035420
Preview
Coordinates | 4035420.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H10 Br N O3 |
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Calculated formula | C12 H10 Br N O3 |
SMILES | BrC(=C\c1ccccc1)/C(=O)N1C(=O)OCC1 |
Title of publication | Stereocontrolled Synthesis of trans/ cis-2,3-Disubstituted Cyclopropane-1,1-diesters and Applications in the Syntheses of Furanolignans. |
Authors of publication | Shen, Yue; Chai, Jun; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 20 |
Pages of publication | 12549 - 12558 |
a | 15.355 ± 0.002 Å |
b | 6.4821 ± 0.001 Å |
c | 13.0958 ± 0.0019 Å |
α | 90° |
β | 114.676 ± 0.002° |
γ | 90° |
Cell volume | 1184.4 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0815 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1719 |
Weighted residual factors for all reflections included in the refinement | 0.2005 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.876 |
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/4035420.html
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