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Information card for entry 4038700
Preview
| Coordinates | 4038700.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H30 N O3 P |
|---|---|
| Calculated formula | C30 H30 N O3 P |
| Title of publication | Absolute Configuration and Conformation of (-)-<i>R</i>-<i>t</i>-Butylphenylphosphinoamidate: Chiroptical Spectroscopy and X-ray Analysis. |
| Authors of publication | Petrovic, Ana G.; Polavarapu, Prasad L.; Łopusiński, Andrzej; Krasowska, Dorota; Wieczorek, Wanda; Szyrej, Małgorzata; Błaszczyk, Jarosław; Drabowicz, Józef |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 12.085 ± 0.002 Å |
| b | 7.2789 ± 0.0015 Å |
| c | 14.672 ± 0.003 Å |
| α | 90° |
| β | 96.83 ± 0.03° |
| γ | 90° |
| Cell volume | 1281.5 ± 0.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0277 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255494 (current) | 2020-08-21 | cif/ Adding structures of 4038700 via cif-deposit CGI script. |
4038700.cif |
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Users of the data should acknowledge the original authors of the
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