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Information card for entry 4115929
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| Coordinates | 4115929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [(N-(phosphonomethyl)-aza-18-crown-6*H2O))2*ClO4] |
|---|---|
| Formula | C26 H61 Cl N2 O22 P2 |
| Calculated formula | C26 H61 Cl N2 O22 P2 |
| Title of publication | "Macrocyclic Leaflets" |
| Authors of publication | C. V. Krishnamohan Sharma; Abraham Clearfield |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2000 |
| Journal volume | 122 |
| Pages of publication | 1558 - 1559 |
| a | 7.418 ± 0.001 Å |
| b | 11.056 ± 0.002 Å |
| c | 12.63 ± 0.002 Å |
| α | 87.225 ± 0.004° |
| β | 74.044 ± 0.003° |
| γ | 85.097 ± 0.003° |
| Cell volume | 991.9 ± 0.3 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0567 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1322 |
| Weighted residual factors for all reflections included in the refinement | 0.1395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4115929.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115929.cif |
| 70492 | 2012-12-25 | cif/ Adding structures of 4115929 via cif-deposit CGI script. |
4115929.cif |
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Users of the data should acknowledge the original authors of the
structural data.