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Information card for entry 4032009
Preview
| Coordinates | 4032009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C177 H209 Cl3 Mg4 N20 O4 S2 |
|---|---|
| Calculated formula | C177 H209 Cl3 Mg4 N20 O4 S2 |
| Title of publication | A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin. |
| Authors of publication | Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 13 |
| Pages of publication | 5440 - 5449 |
| a | 13.376 ± 0.002 Å |
| b | 24.659 ± 0.004 Å |
| c | 24.538 ± 0.004 Å |
| α | 90° |
| β | 90.141 ± 0.003° |
| γ | 90° |
| Cell volume | 8094 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.155 |
| Residual factor for significantly intense reflections | 0.0893 |
| Weighted residual factors for significantly intense reflections | 0.193 |
| Weighted residual factors for all reflections included in the refinement | 0.2391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184160 (current) | 2016-07-04 | cif/ Adding structures of 4032009 via cif-deposit CGI script. |
4032009.cif |
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