Sample Originator: N Tomkinsonb.
Data Collection: Peter N. Hortona
Structure Determination: Simon J. Colesa, Michael B. Hursthousea and Peter N. Hortona.
University of Southamptona
Cardiff Universityb
C22H25BF4N2O
InChI=1/C22H26N2O.2BFH2.BH3.4F2.2FH/c1-22(2)23(3)21(25)20(17-19-13-8-5-9-14-19)24(22)16-10-15-18-11-6-4-7-12-18;2*1-2;;4*1-2;;/h4-14,16,20H,15,17H2,1-3H3;2*1H2;1H3;;;;;2*1H/b16-10+;;;;;;;;;/t20-;;;;;;;;;/m0........./s1
| Identification Number: | 10.5258/ecrystals/536 |
|---|
| Date Created: | 29 July 2008 |
|---|
| Deposited On: | 29 Jul 2008 13:37 |
|---|
| Deposited By: | Dr Simon J Coles |
|---|
Data collection parameters
| Chemical formula | C22 H25 B F4 N2 O |
| Crystal morphology | Cut Block |
| Crystal system | orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 9.7751(3) |
| Cell length b | 12.8596(4) |
| Cell length c | 16.8243(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0787 |
| R Factor (Obs) | 0.0418 |
| R Factor (All) | 0.0557 |
| Weighted R Factor (Obs) | 0.0950 |
| Weighted R Factor (All) | 0.1029 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Horton, Peter N. and Tomkinson, N (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/536)
Export as: oreChem EndNote BibTeX ASCII Citation
