Data Item _chemical.optical_rotation


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Used in currrent PDB entries

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

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


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