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Information card for entry 5910115
Preview
| Coordinates | 5910115.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Ethanol |
|---|---|
| Formula | C2 H6 O |
| Calculated formula | C2 H6 O |
| Title of publication | Hydrogen bond studies. CXIII. The crystal structure of ethanol at 87 K |
| Authors of publication | P.-G. Jönsson |
| Journal of publication | Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem. |
| Year of publication | 1976 |
| Journal volume | 32 |
| Pages of publication | 232 - 235 |
| a | 5.377 ± 0.004 Å |
| b | 6.882 ± 0.005 Å |
| c | 8.255 ± 0.008 Å |
| α | 90° |
| β | 102.2 ± 0.1° |
| γ | 90° |
| Cell volume | 298.6 ± 0.4 Å3 |
| Ambient diffraction temperature | 87 K |
| Number of distinct elements | 3 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.028 |
| 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. |
5910115.cif |
| 177123 | 2016-03-02 | cif/5/91/ Adding standard COD SVN header to CIF entries 591*. |
5910115.cif |
| 176451 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 5. |
5910115.cif |
| 120070 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8. |
5910115.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5910115.cif |
| 1093 | 2010-04-14 | cif/5/ Updating bibliography and CIF formatting in two of the recently deposited entries. |
5910115.cif |
| 1092 | 2010-04-14 | cif/5/ Fixing Acta Cryst. coeditor codes in two new entries. |
5910115.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?). |
5910115.cif |
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Users of the data should acknowledge the original authors of the
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