Sample Originator: P. G. Taylora.
Data Collection: Louise Maleb
Structure Determination: Louise Maleb and Michael B. Hursthouseb.
Open Universitya
University of Southamptonb
C20H40N8O4 . 2(CH4O)
InChI=1/C20H40N8O4.CH4O/c21-17(29)1-5-25-9-11-26(6-2-18(22)30)13-15-28(8-4-20(24)32)16-14-27(12-10-25)7-3-19(23)31;1-2/h1-16H2,(H2,21,29)(H2,22,30)(H2,23,31)(H2,24,32);2H,1H3
| Identification Number: | 10.5258/ecrystals/334 |
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| Date Created: | 04 July 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Louise Male |
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Data collection parameters
| Chemical formula | C22 H48 N8 O6 |
| Crystal morphology | Block |
| Crystal system | Triclinic |
| Space group symbol | P -1 |
| Cell length a | 8.8971(4) |
| Cell length b | 9.5970(4) |
| Cell length c | 9.8882(3) |
| Cell angle alpha | 64.918(2) |
| Cell angle beta | 81.546(2) |
| Cell angle gamma | 68.435(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0618 |
| R Factor (All) | 0.0870 |
| Weighted R Factor (Obs) | 0.1183 |
| Weighted R Factor (All) | 0.1332 |
Citation: Taylor, P. G. and Male, Louise and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/334)
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