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Information card for entry 4087718
Preview
| Coordinates | 4087718.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | L10 in manuscript |
|---|---|
| Formula | C54 H60 O8 P2 |
| Calculated formula | C54 H60 O8.152 P2 |
| Title of publication | Synthesis of Adipic Aldehyde by n-Selective Hydroformylation of 4-Pentenal |
| Authors of publication | Mormul, Jaroslaw; Mulzer, Michael; Rosendahl, Tobias; Rominger, Frank; Limbach, Michael; Hofmann, Peter |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 16 |
| Pages of publication | 4102 |
| a | 10.3454 ± 0.0009 Å |
| b | 13.9408 ± 0.0012 Å |
| c | 18.1284 ± 0.0015 Å |
| α | 67.6136 ± 0.0016° |
| β | 84.779 ± 0.002° |
| γ | 81.66 ± 0.002° |
| Cell volume | 2390.1 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.1075 |
| Residual factor for significantly intense reflections | 0.0636 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236942 (current) | 2019-11-24 | cif/ Adding structures of 4087718, 4087719, 4087720, 4087721 via cif-deposit CGI script. |
4087718.cif |
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Users of the data should acknowledge the original authors of the
structural data.