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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
_chemical.optical_rotation
Name:_chemical.optical_rotation
Alias:
_chemical_optical_rotation
Definition:
The optical rotation in solution of the compound is
specified in the following format:
'[α]^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.α/(l.c), where α is the signed optical
rotation in degrees measured in a cell of length l in
dm and c is the value of CONC in g, and
SOLV is the chemical formula of the solvent.
Example:| '[α]^25^~D~ = +108 (c = 3.42, CHCl~3~)' |
Type: Text
Category:
chemical
