CSD Entry CIPFEM

Hydrogens Bond types Disorder

Packing Options None Unit Cell 3x3x3

C₃₀ H₅₀ O

Space Group: P 2₁

a 7.529(2) b 11.497(2) c 15.045(3)

α 90 β 92.94(2) γ 90

R-Factor: 10.4%

Temperature (K): Room Temp.(283-303)

Identifier	CIPFEM
Source Database	as531be
Reliability Score	Explain score
Author(s)	J.Reyes, C.Hidalgo, F.R.Fronczek
Reference	Rev.Latinoam Quim. (1983), 14, 67
Formula	C₃₀ H₅₀ O
Compound	epi-β-Amyrin
Synonym	Olean-12-en-3α-ol
Space Group	P 2₁
Cell Lengths	a 7.529(2) b 11.497(2) c 15.045(3)
Cell Angles	α 90 β 92.94(2) γ 90
Cell Volume	1300.59
Z, Z'	Z: 2 Z': 1
R-Factor (%)	10.4
SMILES	CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1
Reduced Cell Lengths	a 7.529 b 11.497 c 15.045
Reduced Cell Angles	α 90 β 92.94 γ 90
Reduced Cell Volume	1300.59
Temperature (K)	Room Temp.(283-303)
Density (CCDC)	1.09
Average Sigma (C-C)	0.01 < sigma <= 0.03
Radiation Probe	x-ray
Remarks	No study temperature is reported
Source	Sebastiana pavoniana
Melting Point	196-198deg.C
Experiment Type	single crystal
Colour	white
CCDC Class	Terpene

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Added to CSD: 28th March 1985; Last modified: 26th July 2011; Published in WebCSD: 4th August 2011 10:56:01