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Information card for entry 7034463
Preview
| Coordinates | 7034463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (NMe4)[OCOC6H3{NHCOC(C6H4-t-Bu)3}(NHCO-n-Bu)]-2(H2O)-dioxane |
|---|---|
| Formula | C52 H77 N3 O8 |
| Calculated formula | C52 H73 N3 O8 |
| Title of publication | Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NHO hydrogen bonds in nonpolar solvents. |
| Authors of publication | Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 16 |
| Pages of publication | 7512 - 7523 |
| a | 11.5622 ± 0.0009 Å |
| b | 11.6068 ± 0.0008 Å |
| c | 19.7688 ± 0.0014 Å |
| α | 92.302 ± 0.006° |
| β | 105.78 ± 0.007° |
| γ | 100.231 ± 0.007° |
| Cell volume | 2501.4 ± 0.3 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 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 | 0.1177 |
| Residual factor for significantly intense reflections | 0.0741 |
| Weighted residual factors for significantly intense reflections | 0.1812 |
| Weighted residual factors for all reflections included in the refinement | 0.2071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180050 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/44. |
7034463.cif |
| 138637 | 2015-06-07 | cif/ Updating files of 7034462, 7034463, 7034464, 7034465, 7034466, 7034467 Original log message: Adding full bibliography for 7034462--7034467.cif. |
7034463.cif |
| 134108 | 2015-03-19 | cif/ Adding structures of 7034462, 7034463, 7034464, 7034465, 7034466, 7034467 via cif-deposit CGI script. |
7034463.cif |
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Users of the data should acknowledge the original authors of the
structural data.