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Information card for entry 7225513
Preview
Coordinates | 7225513.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H24 Fe N2 O |
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Calculated formula | C32 H24 Fe N2 O |
SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[c]7([c]82C(=O)Nc1cccc2c1nccc2)c1ccccc1)c1ccccc1 |
Title of publication | Palladium-catalyzed direct C-H arylation of ferrocenecarboxamides with aryl halides |
Authors of publication | Qiao, Huijie; Sun, Suyan; Yang, Fan; Zhu, Yu; Zhu, Weiguo; Wu, Yusheng; Wu, Yangjie |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 11.3423 ± 0.0006 Å |
b | 14.2822 ± 0.0004 Å |
c | 16.0589 ± 0.0007 Å |
α | 90° |
β | 107.98 ± 0.005° |
γ | 90° |
Cell volume | 2474.4 ± 0.2 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291.15 K |
Number of distinct elements | 5 |
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 | 0.0531 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.0962 |
Weighted residual factors for all reflections included in the refinement | 0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
183451 (current) | 2016-06-14 | cif/ Adding structures of 7225513, 7225514 via cif-deposit CGI script. |
7225513.cif |
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