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Information card for entry 4114382
Preview
| Coordinates | 4114382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cellulose |
|---|---|
| Formula | C12 H24 O10 |
| Calculated formula | C12 H14 O10 |
| Title of publication | Crystal Structure and Hydrogen Bonding System in Cellulose Iαfrom Synchrotron X-ray and Neutron Fiber Diffraction |
| Authors of publication | Yoshiharu Nishiyama; Junji Sugiyama; Henri Chanzy; Paul Langan |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 14300 - 14306 |
| a | 10.4 ± 0.01 Å |
| b | 6.717 ± 0.006 Å |
| c | 5.962 ± 0.007 Å |
| α | 80.37 ± 0.05° |
| β | 118.08 ± 0.05° |
| γ | 114.8 ± 0.05° |
| Cell volume | 333.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1867 |
| Residual factor for significantly intense reflections | 0.1779 |
| Weighted residual factors for significantly intense reflections | 0.4296 |
| Weighted residual factors for all reflections included in the refinement | 0.4353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.408 |
| Diffraction radiation wavelength | 0.7206 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178914 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/43. |
4114382.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
4114382.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114382.cif |
| 67695 | 2012-10-02 | cif/ Adding structures of 4114382 via cif-deposit CGI script. |
4114382.cif |
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Users of the data should acknowledge the original authors of the
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