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Information card for entry 1553215
Preview
Coordinates | 1553215.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H17 Cl2 N O4 |
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Calculated formula | C16 H17 Cl2 N O4 |
SMILES | Clc1cc2cc(Cl)c1OCC=CCCC(=O)N[C@H](C(=O)OC)C2 |
Title of publication | Exploiting ortho-substitution effect on formation of oxygen-containing [10]paracyclophane through ring-closing metathesis |
Authors of publication | Yang, Li; Song, Liqiang; Huang, Chong; Huang, Mingzheng; Liu, Bo |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2016 |
Journal volume | 3 |
Journal issue | 3 |
Pages of publication | 319 |
a | 8.3061 ± 0.0002 Å |
b | 9.701 ± 0.0002 Å |
c | 20.7173 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1669.35 ± 0.07 Å3 |
Cell temperature | 294.39 ± 0.1 K |
Ambient diffraction temperature | 294.39 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.051 |
Residual factor for significantly intense reflections | 0.0478 |
Weighted residual factors for significantly intense reflections | 0.1284 |
Weighted residual factors for all reflections included in the refinement | 0.1329 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation probe | x-ray |
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/1553215.html
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