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Information card for entry 5910043
Preview
| Coordinates | 5910043.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Cytosine monohydrate |
|---|---|
| Formula | C4 H7 N3 O2 |
| Calculated formula | C4 H7 N3 O2 |
| Title of publication | Static deformation densities for cytosine and adenine |
| Authors of publication | M. Eisenstein |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1988 |
| Journal volume | 44 |
| Journal issue | 4 |
| Pages of publication | 412 - 426 |
| a | 7.728 ± 0.001 Å |
| b | 9.817 ± 0.003 Å |
| c | 7.52 ± 0.001 Å |
| α | 90° |
| β | 100.5° |
| γ | 90° |
| Cell volume | 561 ± 0.2 Å3 |
| Ambient diffraction temperature | 97 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0341 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301844 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 5/ Each referenced PubChem compound corresponds to the full crystal structure. |
5910043.cif |
| 177123 | 2016-03-02 | cif/5/91/ Adding standard COD SVN header to CIF entries 591*. |
5910043.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
5910043.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
5910043.cif |
| 174621 | 2016-01-20 | cif/5/91/ (antanas@echidna.ibt.lt) Updating bibliography for entry 5910043. |
5910043.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
5910043.cif |
| 125872 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding issue number for 25 COD CIFs. |
5910043.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5910043.cif |
| 1093 | 2010-04-14 | cif/5/ Updating bibliography and CIF formatting in two of the recently deposited entries. |
5910043.cif |
| 1092 | 2010-04-14 | cif/5/ Fixing Acta Cryst. coeditor codes in two new entries. |
5910043.cif |
| 1090 | 2010-04-14 | cif/5/ Adding new files uploaded by Girish Upreti, mostly historic inorganic structures from Wyckoff, R. W. G. books (keyed in manually?). |
5910043.cif |
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Users of the data should acknowledge the original authors of the
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