Data Item _chemical.absolute_configuration

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