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Information card for entry 4027910
Preview
Coordinates | 4027910.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51.75 H56.75 Cl3.08 N4 O4 Si2 |
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Calculated formula | C51.736 H56.736 Cl3.088 N4 O4 Si2 |
Title of publication | Reactions of Large Tetraaza-N,N'-dihydroacenes: Formation of Unexpected Adducts and an Unstable Tetraazahexacene |
Authors of publication | Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Manuel Schaffroth; Frank Rominger; Uwe H. F. Bunz |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 1249 - 1253 |
a | 7.214 ± 0.002 Å |
b | 21.153 ± 0.006 Å |
c | 33.108 ± 0.009 Å |
α | 90° |
β | 95.674 ± 0.007° |
γ | 90° |
Cell volume | 5027 ± 2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1717 |
Residual factor for significantly intense reflections | 0.1494 |
Weighted residual factors for significantly intense reflections | 0.3649 |
Weighted residual factors for all reflections included in the refinement | 0.3782 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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