Data Item _chemical.absolute_configuration
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General 
- Item name
- _chemical.absolute_configuration
- Category name
- chemical
- Attribute name
- absolute_configuration
- Required in PDB entries
- no
- Used in currrent PDB entries
- No
Item Description
Necessary conditions for the assignment of
_chemical.absolute_configuration are given by H. D. Flack and
G. Bernardinelli (1999, 2000).
Ref: Flack, H. D. & Bernardinelli, G. (1999). Acta Cryst. A55,
908-915. (http://www.iucr.org/paper?sh0129)
Flack, H. D. & Bernardinelli, G. (2000). J. Appl. Cryst.
33, 1143-1148. (http://www.iucr.org/paper?ks0021)
Data Type 
- Data type code
- code
- Data type detail
- code item types/single words ...
- Primitive data type code
- char
- Regular expression
- [][_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*
Controlled Vocabulary
| Allowed Value | Details |
|---|---|
| ad | absolute configuration established by anomalous-dispersion effects in diffraction measurements on the crystal |
| rm | absolute configuration established by the structure determination of a compound containing a chiral reference molecule of known absolute configuration |
| rmad | absolute configuration established by the structure determination of a compound containing a chiral reference molecule of known absolute configuration and confirmed by anomalous-dispersion effects in diffraction measurements on the crystal |
| syn | absolute configuration has not been established by anomalous-dispersion effects in diffraction measurements on the crystal. The enantiomer has been assigned by reference to an unchanging chiral centre in the synthetic procedure |
| unk | absolute configuration is unknown, there being no firm chemical evidence for its assignment to hand and it having not been established by anomalous-dispersion effects in diffraction measurements on the crystal. An arbitrary choice of enantiomer has been made |
Controlled Vocabulary at Deposition
| Allowed Value | Details |
|---|---|
| ad | absolute configuration established by anomalous-dispersion effects in diffraction measurements on the crystal |
| rm | absolute configuration established by the structure determination of a compound containing a chiral reference molecule of known absolute configuration |
| rmad | absolute configuration established by the structure determination of a compound containing a chiral reference molecule of known absolute configuration and confirmed by anomalous-dispersion effects in diffraction measurements on the crystal |
| syn | absolute configuration has not been established by anomalous-dispersion effects in diffraction measurements on the crystal. The enantiomer has been assigned by reference to an unchanging chiral centre in the synthetic procedure |
| unk | absolute configuration is unknown, there being no firm chemical evidence for its assignment to hand and it having not been established by anomalous-dispersion effects in diffraction measurements on the crystal. An arbitrary choice of enantiomer has been made |
Aliases
| Alias Item Name | Dictionary Name | Dictionary Version |
|---|---|---|
| _chemical_absolute_configuration | cif_core.dic | 2.3 |