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Information card for entry 4514364
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Coordinates | 4514364.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H39 Fe N O2 P2 |
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Calculated formula | C19 H39 Fe N O2 P2 |
Title of publication | Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide |
Authors of publication | Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H. |
Journal of publication | ACS Catalysis |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 2 |
Pages of publication | 1338 |
a | 19.086 ± 0.004 Å |
b | 16.908 ± 0.004 Å |
c | 15.109 ± 0.003 Å |
α | 90° |
β | 113.043 ± 0.004° |
γ | 90° |
Cell volume | 4486.7 ± 1.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1104 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.0898 |
Weighted residual factors for all reflections included in the refinement | 0.1066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
206128 (current) | 2018-02-04 | cif/ Updating files of 4514363, 4514364, 4514365 Original log message: Adding full bibliography for 4514363--4514365.cif. |
4514364.cif |
205414 | 2018-01-20 | cif/ Adding structures of 4514364 via cif-deposit CGI script. |
4514364.cif |
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Users of the data should acknowledge the original authors of the
structural data.