Data Item _chemical.optical_rotation

General

Item name
_chemical.optical_rotation
Category name
chemical
Attribute name
optical_rotation
Required in PDB entries
no
Used in currrent PDB entries
No

Item Description

The optical rotation in solution of the compound is specified in the following format: '[\a]TEMPWAVE = SORT (c = CONC, SOLV)' where: TEMP is the temperature of the measurement in degrees Celsius, WAVE is an indication of the wavelength of the light used for the measurement, CONC is the concentration of the solution given as the mass of the substance in g in 100 ml of solution, SORT is the signed value (preceded by a + or a - sign) of 100.\a/(l.c), where \a is the signed optical rotation in degrees measured in a cell of length l in dm and c is the value of CONC as defined above, and SOLV is the chemical formula of the solvent.

Item Example

 [\a]^25^~D~ = +108 (c = 3.42, CHCl~3~)

Data Type

Data type code
line
Data type detail
char item types / multi-word items ...
Primitive data type code
char
Regular expression
[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*

Aliases

Alias Item Name Dictionary Name Dictionary Version
_chemical_optical_rotation cif_core.dic 2.3