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Information card for entry 4032008
Preview
| Coordinates | 4032008.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C85 H96 Cl2 Mg2 N10 O2 S |
|---|---|
| Calculated formula | C85 H96 Cl2 Mg2 N10 O2 S |
| 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 | 13.195 ± 0.005 Å |
| b | 23.759 ± 0.005 Å |
| c | 24.771 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 7766 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0987 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1445 |
| Weighted residual factors for all reflections included in the refinement | 0.1679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184159 (current) | 2016-07-04 | cif/ Adding structures of 4032008 via cif-deposit CGI script. |
4032008.cif |
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Users of the data should acknowledge the original authors of the
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