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Information card for entry 4027977
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Coordinates | 4027977.cif |
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Original paper (by DOI) | HTML |
Formula | C54 H32 Cl4 N10 |
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Calculated formula | C54 H32 Cl4 N10 |
Title of publication | Donor-Substituted Octacyano[4]dendralenes: Investigation of π-Electron Delocalization in Their Radical Ions |
Authors of publication | Benjamin Breiten; Markus Jordan; Daisuke Taura; Michal Zalibera; Markus Griesser; Daria Confortin; Corinne Boudon; Jean-Paul Gisselbrecht; W. Bernd Schweizer; Georg Gescheidt; François Diederich |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 1760 - 1767 |
a | 8.48 ± 0.003 Å |
b | 15.471 ± 0.004 Å |
c | 18.112 ± 0.005 Å |
α | 91.016 ± 0.007° |
β | 94.203 ± 0.008° |
γ | 93.318 ± 0.008° |
Cell volume | 2365.2 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.2141 |
Residual factor for significantly intense reflections | 0.0956 |
Weighted residual factors for significantly intense reflections | 0.2149 |
Weighted residual factors for all reflections included in the refinement | 0.2696 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
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/4027977.html
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