Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2103312
Preview
| Coordinates | 2103312.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | glycine |
|---|---|
| Formula | C2 H5 N O2 |
| Calculated formula | C2 H5 N O2 |
| SMILES | [O-]C(=O)C[NH3+] |
| Title of publication | Structural characterization of crystals of α-glycine during anomalous electrical behaviour |
| Authors of publication | Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 4 |
| Pages of publication | 728 - 733 |
| a | 5.1074 ± 0.0003 Å |
| b | 12.0775 ± 0.0009 Å |
| c | 5.4596 ± 0.0004 Å |
| α | 90° |
| β | 111.827 ± 0.005° |
| γ | 90° |
| Cell volume | 312.63 ± 0.04 Å3 |
| Cell temperature | 427 ± 2 K |
| Ambient diffraction temperature | 427 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0708 |
| Weighted residual factors for all reflections included in the refinement | 0.0718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.333 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 0.8397 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201972 (current) | 2017-10-13 | cif/ Marking COD entries in range 2/10 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2103312.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2103312.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
2103312.cif |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
2103312.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2103312.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2103312.cif |
| 20918 | 2011-06-16 | smi/2 A bunch of SMILES with atoms in special positions. A few minor fixes on some CIFs |
2103312.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2103312.cif |
| 380 | 2008-06-11 | Adding new deposition of the Acta-Cryst-B-2002/ CIF files. |
2103312.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.