Sample Originator: Duncan W. Brucea.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
University of Exetera
University of Southamptonb
C44H50NO10Re
InChI=1/C40H51NO6.4CH3O.Re/c1-3-5-7-9-11-13-15-17-38(42)45-35-25-19-32(20-26-35)31-41-34-23-29-37(30-24-34)47-40(44)33-21-27-36(28-22-33)46-39(43)18-16-14-12-10-8-6-4-2;4*1-2;/h19,21-30H,3-18,31H2,1-2H3;4*2H,1H2;/q-1;;;;;+1
| Identification Number: | 10.5258/ecrystals/740 |
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| Date Created: | 12 May 1999 |
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| Deposited On: | 14 Aug 2013 23:51 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C44 H50 N O10 Re |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 7.7320(4) |
| Cell length b | 9.8233(4) |
| Cell length c | 56.321(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 92.4020(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0386 |
| R Factor (All) | 0.0980 |
| Weighted R Factor (Obs) | 0.0575 |
| Weighted R Factor (All) | 0.0691 |
Citation: Bruce, Duncan W. and Light, Mark E. and Hursthouse, Michael B. (1999) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/740)
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