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Common molecules sample 50677 - Reciprocal Net Log in
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Empirical formula: C8H12N4O3
a: 14.800 Å
b: 16.700 Å
c: 3.970 Å
α (alpha): 90.00 °
β (beta): 97.00 °
γ (gamma): 90.00 °
Volume: 973.91 Å3
Space group: P21/a
Calculated density: 1.447 g/cm3
Z: 4
Formula weight: 212.208 g/mole
R(F): 14.6000
Common name: Caffeine
CSD refcode: CAFINE
Short description: A stimulant found in drinks and used in pharmaceuticals.
Keyword: stimulant
Keyword: soft drinks
Keyword: coffee
IUPAC name: 1,3,7-Trimethyl-purine-2,6-dione
Citation of a publication: D.J. Sutor; Acta Crystallogr., 11, (1958), 453
Layman's explanation: Caffeine is a white crystalline alkaloid found in nuts and plants. It was discovered and isolated by Friedlieb Ferdinand Runge in 1819. Caffeine is a pharmaceutical drug used for stimulation of the central nervous system. This substance has been used to stimulate cardiac muscles, increase alertness, and in the treatment of headaches. Caffeine acts as a stimulant and binds to the adenosine receptors of nerve cells which cause the cell to speed up. It also increases the levels of dopamine.
Lab name: Common molecules
Sample provider: Obtained courtesy of the Cambridge Structural Database
Status: Complete, visible to public
Repository Files:
50677.cif 50677.crt 50677.gif 50677.GIF 50677.ort
50677.pdb 50677.sdt 50677.xtel

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