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Information card for entry 2226209
Preview
| Coordinates | 2226209.cif |
|---|---|
| Structure factors | 2226209.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4-carbamoylphenyl)boronic acid |
|---|---|
| Formula | C7 H8 B N O3 |
| Calculated formula | C7 H8 B N O3 |
| Title of publication | (4-Carbamoylphenyl)boronic acid |
| Authors of publication | Apostolova, Margarita D.; Nikolova, Rositsa P.; Shivachev, Boris L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 6 |
| Pages of publication | o1273 |
| a | 4.997 ± 0.002 Å |
| b | 5.351 ± 0.002 Å |
| c | 7.2967 ± 0.0016 Å |
| α | 103.912 ± 0.013° |
| β | 98.69 ± 0.02° |
| γ | 93.136 ± 0.014° |
| Cell volume | 186.36 ± 0.11 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1319 |
| Weighted residual factors for all reflections included in the refinement | 0.1479 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181183 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/62. |
2226209.cif 2226209.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2226209.cif 2226209.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226209.cif 2226209.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2226209.cif 2226209.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226209.cif 2226209.hkl |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
2226209.cif 2226209.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2226209.cif 2226209.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226209.cif |
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Users of the data should acknowledge the original authors of the
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