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Information card for entry 4029126
Preview
Coordinates | 4029126.cif |
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Original paper (by DOI) | HTML |
Formula | C104.21 H128.41 Cl0.41 N12 O22 |
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Calculated formula | C104.205 H128.41 Cl0.41 N12 O22 |
Title of publication | Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers. |
Authors of publication | Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 5 |
Pages of publication | 2115 - 2122 |
a | 18.056 ± 0.007 Å |
b | 20.067 ± 0.009 Å |
c | 29.141 ± 0.009 Å |
α | 90° |
β | 103.002 ± 0.008° |
γ | 90° |
Cell volume | 10288 ± 7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1055 |
Residual factor for significantly intense reflections | 0.072 |
Weighted residual factors for significantly intense reflections | 0.1794 |
Weighted residual factors for all reflections included in the refinement | 0.1934 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.5419 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4029126.html
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