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Information card for entry 4026694
Preview
Coordinates | 4026694.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25.3 H20.6 Cl0.6 N2 |
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Calculated formula | C25.288 H20.576 Cl0.576 N2 |
Title of publication | Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers |
Authors of publication | Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 8794 - 8806 |
a | 11.499 ± 0.0004 Å |
b | 13.5445 ± 0.0006 Å |
c | 14.2813 ± 0.0007 Å |
α | 88.9 ± 0.002° |
β | 73.118 ± 0.002° |
γ | 83.078 ± 0.004° |
Cell volume | 2112.62 ± 0.16 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0794 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1796 |
Weighted residual factors for all reflections included in the refinement | 0.1939 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 1.54178 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/4026694.html
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