Macromolecular dictionary (mmCIF) version 2.0.09

_chemical.optical_rotation

Name:
'_chemical.optical_rotation'

Definition:

   The optical rotation in solution of the compound is
   specified in the following format:
        '[\a]^TEMP^~WAVE~ = 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.

Example:

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

Type: line

Mandatory item: no

Alias:
_chemical_optical_rotation (cif_core.dic version 2.3)

Category: chemical