Sample Originator: Mark S. Bairda.
Data Collection: Michael B. Hursthouseb
Structure Determination: Michael B. Hursthouseb.
University of Wales, Bangora
University of Southamptonb
C15H18Cl2NO4
InChI=1/2C15H19Cl2NO4/c2*1-15(2)14(17)12(16)13(18-22-15)11-9(20-4)6-8(19-3)7-10(11)21-5/h2*6-7,13,18H,1-5H3
| Identification Number: | 10.5258/ecrystals/1182 |
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| Controlled Keywords: | organic compounds |
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| Date Created: | 23 August 1992 |
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| Deposited On: | 16 Feb 2010 13:48 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
The electronic files for this structure were recovered from floppy diskette and unfortunately no metadata is available.
Data collection parameters
| Chemical formula | C15 H18 Cl2 N O4 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.351(4) |
| Cell length b | 13.523(3) |
| Cell length c | 17.741(4) |
| Cell angle alpha | 68.88(2) |
| Cell angle beta | 79.671(11) |
| Cell angle gamma | 82.341(18) |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0354 |
| R Factor (All) | 0.2029 |
| Weighted R Factor (Obs) | 0.0840 |
| Weighted R Factor (All) | 0.2518 |
Citation: Baird, Mark S. and Hursthouse, Michael B. (1992) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1182)
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