Sample Originator: Mimi (K.K.) Hiia.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Imperial College Londona
University of Southamptonb
C19H26NBr
InChI=1/C19H26N.BrH/c1(5-11-18-12-6-3-7-13-18)2-10-16-20-17-19-14-8-4-9-15-19;/h3-4,6-9,12-15H,1-2,5,10-11,16-17,20H2;1H
| Identification Number: | 10.5258/ecrystals/1015 |
|---|
| Controlled Keywords: | benzodiazepinic ligands, catalysis |
|---|
| Date Created: | 28 January 2001 |
|---|
| Deposited On: | 14 Aug 2013 23:29 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Data collection parameters
| Chemical formula | C19 H26 Br N |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1) |
| Cell length a | 5.1549(2) |
| Cell length b | 31.1802(12) |
| Cell length c | 5.4853(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.609(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0389 |
| R Factor (All) | 0.0425 |
| Weighted R Factor (Obs) | 0.0883 |
| Weighted R Factor (All) | 0.0900 |
Citation: Hii, Mimi (K.K.) and Horton, Peter N. and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1015)
Export as: oreChem EndNote BibTeX ASCII Citation
