Formula:

C16 H21 N O4

Crystal density:

1.19 g/cc

Color:

colorless

OMDB ID:

27297

COD ID:

2004277

Publication details:

Structural Investigation of Dihydrooxazinones

Publisher:

Acta Crystallographica Section C, 1995, vol: 51, page: 2587

Version History:

No changes

Crystallographic Information

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a 8.5120(10)
b 9.3750(10)
c 10.6070(10)
α 90
β 105.490(10)
γ 90
Download .cif file View in COD

Symmetry properties

Hermann-Mauguin symmetry space group P 1 21 1
Hall symmetry space group P 2yb
Space group IT number 4

Band structure and density of states

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* Warning! DFT is not very accurate in estimation of band gaps and tends to underestimate them.
Indirect band gap DFT GGA* (eV) 4.4571
Magnetization density (μB/Å3) 0
Special points in the Brillouin zone
Density of states filters
Specie l m

Input files for DFT calculations (VASP)

Self-consistent
INCAR.gz POSCAR.gz KPOINTS.gz
Band structure
INCAR.gz POSCAR.gz KPOINTS.gz
Density of states
INCAR.gz POSCAR.gz KPOINTS.gz

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