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Information card for entry 8103078
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| Coordinates | 8103078.cif |
|---|---|
| External links | PubChem |
| Chemical name | 1-deoxy-1-(3-hydroxypropyl)-O-triphenylmethyl-β-D-lyxofuranose |
|---|---|
| Formula | C27 H30 O5 |
| Calculated formula | C27 H30 O5 |
| Title of publication | Crystal structure of 1-deoxy-1-(3-hydroxypropyl)-O-triphenylmethyl-β-D-lyxofuranose, C27H30O5 |
| Authors of publication | Bogdan Doboszewski; Flávia de Toni Uchôa; Alexander Y. Nazarenko; Victor N. Nemykin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 1 |
| Pages of publication | 61 |
| a | 9.4966 ± 0.00017 Å |
| b | 9.79355 ± 0.00018 Å |
| c | 12.8341 ± 0.0009 Å |
| α | 90° |
| β | 98.698 ± 0.007° |
| γ | 90° |
| Cell volume | 1179.91 ± 0.09 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8103078.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103078.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103078.cif |
| 28984 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103078 via cif-deposit CGI script. |
8103078.cif |
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Users of the data should acknowledge the original authors of the
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