Logo

4,4-Dimethyl-3-methylideneoctahydronaphthalene-2,4a(2H)-diol

Sample Originator: G. Perona.

Data Collection: Thomas Gelbricha

Structure Determination: Thomas Gelbricha.

University of Southamptona

C13H22O2

InChI=1/C13H22O2/c1-9-11(14)8-10-6-4-5-7-13(10,15)12(9,2)3/h10-11,14-15H,1,4-8H2,2-3H3/t10-,11+,13-/m1/s1

Identification Number:10.5258/ecrystals/404
Date Created:24 March 2000
Deposited On:18 Apr 2008 14:33
Deposited By:Dr Thomas Gelbrich

Data collection parameters

Chemical formulaC13 H22 O2
Crystal morphology
Crystal systemmonoclinic
Space group symbolP21/n
Cell length a8.9541(2)
Cell length b7.1843(2)
Cell length c19.1662(2)
Cell angle alpha90.00
Cell angle beta98.1620(10)
Cell angle gamma90.00
Data collection temperature296(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0490
R Factor (All)0.1003
Weighted R Factor (Obs)0.1011
Weighted R Factor (All)0.1134

Citation: Gelbrich, Thomas and Peron, G. and Hursthouse, Michael B. and Kilburn, Jeremy D. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/404)
Export as: oreChem EndNote BibTeX ASCII Citation

Available Files

Final Result

00src037.cif13k
00src037.cml5k

Validation

00src037_checkcif.htm8k

Refinement

s92.res6k

Processing

00sot037.htm3k
s92.hkl175k

Other Files

00sot037.skc2k
00src037.inchi2k
00src037.mol3k
00src037_ellipsoid.gif20k

This is the latest version of this item.

Repository Staff Only: item control page