Formula:

C6 H8 F N O2

OMDB ID:

1608

COD ID:

4025408


Publication details:

Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro--d-hexopyranoses

Publisher:

Journal of Organic Chemistry, 2010, vol: 75, page: 3443


Version History:

No changes

Crystallographic Information

Click on the image to make it interactive.

Explore
Interact
a 6.5963(2)
b 6.5963(2)
c 13.9750(3)
α 90
β 90
γ 90
Download cif file COD link


Symmetry properties

Hermann-Mauguin symmetry space group P 41
Hall symmetry space group P 4w
Space group IT number 76

Band structure and density of states

Select a range with the left mouse button to zoom in


Indirect band gap DFT GGA* (eV) 5.7486
* Warning! DFT is not very accurate in estimation of band gaps and tends to underestimate them.
Special points in the Brillouin zone
Density of states filters
Specie l m

Input files for DFT calculations (VASP)

Self-consistent
Band structure
Density of states


Community Contributions

There isn't any community contribution for this material.



There isn't any service proposal or request for this material.



Similar Materials

See the similar materials for this material by logging in or registering for free.


Comments

See the community comments for this material by logging in or registering for free.