4-Methylene-1-(2-methylene-cyclopropyl)-octahydro-isochromen-4a-ol

Sample Originator: Faye Watson^a.

Data Collection: Thomas Gelbrich^a

Structure Determination: Thomas Gelbrich^a.

University of Southampton^a

C₁₄H₂₀O₂

InChI=1/C14H22O2.C14H20O2/c2*1-9-7-11(9)13-12-5-3-4-6-14(12,15)10(2)8-16-13/h9,11-13,15H,2-8H2,1H3;11-13,15H,1-8H2/t9?,11-,12-,13+,14-;11-,12-,13+,14-/m11/s1

Identification Number:	10.5258/ecrystals/403
Date Created:	01 June 2000
Deposited On:	18 Apr 2008 14:31
Deposited By:	Dr Thomas Gelbrich

Data collection parameters

Chemical formula	C14 H20 O2
Crystal morphology
Crystal system	monoclinic
Space group symbol	P21/c
Cell length a	11.7383(3)
Cell length b	10.1001(2)
Cell length c	21.5543(7)
Cell angle alpha	90.00
Cell angle beta	92.982(9)
Cell angle gamma	90.00
Data collection temperature	293(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0533
R Factor (All)	0.1375
Weighted R Factor (Obs)	0.0946
Weighted R Factor (All)	0.1063

Citation: Gelbrich, Thomas and Watson, Faye and Hursthouse, Michael B. and Kilburn, Jeremy D. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/403)
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Available Files

Final Result

00sot057.cif	19k
00sot057.cml	9k

Validation

00sot057_checkcif.htm

10k

Refinement

s92.res

Processing

00sot057.htm	6k
s92.hkl	458k

Other Files

00sot057.inchi	3k
00sot057.mol	5k
00sot057_ellipsoid.gif	23k

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