Common molecules sample 50677

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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
Layman's explanation:	Explanation: Caffeine is a white crystalline alkaloid found in nuts and plants. It was discovered and isolated by Friedlieb Ferdinand Runge in 1819. It is used as a pharmaceutical drug, because it stimulates the central nervous system. For example it stimulates cardiac muscles, increases alertness, and sometimes treats headaches. It acts as a stimulant, because it binds to the adenosine receptors of nerve cells which cause the cell to speed up. It also increases the levels of dopamine.
IUPAC name:	1,3,7-Trimethyl-purine-2,6-dione
Citation of a publication:	Reference: Acta Crystallogr. 11 (1958) p453 Authors: D.J. Sutor
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.tab	50677.xtel