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Empirical formula: C11H14O2
a: 11.068 Å
b: 13.385 Å
c: 13.625 Å
α (alpha): 100.64 °
β (beta): 90.91 °
γ (gamma): 97.74 °
Volume: 1963.98 Å3
Space group: P-1
Calculated density: 1.206 g/cm3
Z: 8
Temperature: 160.0 °C
Formula weight: 178.231 g/mole
R(F): 0.0490
Common name: Butylbenzoic acid
CSD refcode: BONLOF
CAS registry number: 98-73-7
IUPAC name: 4-t-Butylbenzoic acid
Citation of a publication: Author: H.van Koningsveld Reference: Cryst.Struct.Commun. 11(1982)1423
Copyright notice: null
Lab name: Common molecules
Sample provider: Obtained courtesy of the Cambridge Structural Database
Status: Complete, visible to public
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Repository Files:
50842.cif 50842.crt 50842.gif 50842.GIF 50842.pdb
50842.sdt 50842f.crt 50842f.pdb 50842f.sdt
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