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Information card for entry 4129731
Preview
| Coordinates | 4129731.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H50 Fe N2 O2 Si2 |
|---|---|
| Calculated formula | C57 H50 Fe N2 O2 Si2 |
| Title of publication | Stereoselective Catalysis Achieved through in Situ Desymmetrization of an Achiral Iron Catalyst Precursor. |
| Authors of publication | Manna, Cesar M.; Kaur, Aman; Yablon, Lauren M.; Haeffner, Fredrik; Li, Bo; Byers, Jeffery A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 45 |
| Pages of publication | 14232 - 14235 |
| a | 13.8775 ± 0.0007 Å |
| b | 22.7066 ± 0.0012 Å |
| c | 16.4233 ± 0.0008 Å |
| α | 89.98 ± 0.002° |
| β | 111.607 ± 0.002° |
| γ | 90.049 ± 0.003° |
| Cell volume | 4811.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.072 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1671 |
| Weighted residual factors for all reflections included in the refinement | 0.1722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240399 (current) | 2019-11-25 | cif/ Adding structures of 4129731 via cif-deposit CGI script. |
4129731.cif |
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