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Information card for entry 4038356
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Coordinates | 4038356.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H27 Cl5 N2 Pd |
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Calculated formula | C15 H27 Cl5 N2 Pd |
Title of publication | Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane. |
Authors of publication | Higgins, Tyler; Winkler, Jeffrey D. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 11.2212 ± 0.0002 Å |
b | 11.8966 ± 0.0002 Å |
c | 14.6501 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1955.7 ± 0.05 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0204 |
Residual factor for significantly intense reflections | 0.0182 |
Weighted residual factors for significantly intense reflections | 0.0375 |
Weighted residual factors for all reflections included in the refinement | 0.0381 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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252026 (current) | 2020-05-14 | cif/ Adding structures of 4038356 via cif-deposit CGI script. |
4038356.cif |
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