Sample Originator: Kevin J. McCullough.
Data Collection: Simon J. Colesa
Structure Determination: Michael B. Hursthousea and Simon J. Colesa.
University of Southamptona
C14H24O4
InChI=1/C14H24O4/c1-17-13-8-3-2-4-10-14(16)18-11-12(15)7-5-6-9-13/h13H,2-11H2,1H3/t13-/m0/s1
| Identification Number: | 10.5258/ecrystals/1192 |
|---|
| Controlled Keywords: | organic compounds |
|---|
| Date Created: | 07 October 1993 |
|---|
| Deposited On: | 10 Jun 2013 16:57 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Depositor Comments
The electronic files for this structure were recovered from floppy diskette and unfortunately no metadata is available.
Data collection parameters
| Chemical formula | C14 H24 O4 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 8.910(6) |
| Cell length b | 27.07(3) |
| Cell length c | 5.947(7) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 101.01(16) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0500 |
| R Factor (All) | 0.0885 |
| Weighted R Factor (Obs) | 0.1123 |
| Weighted R Factor (All) | 0.1558 |
Citation: McCullough, Kevin J. and Hursthouse, Michael B. and Coles, Simon J. (1993) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1192)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
