Sample Originator: Mark (B.M.) Herona.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
University of Hulla
University of Southamptonb
C58H52O6.5
InChI=1/C58H54O6.H2O/c1-35-33-49(59)45-13-9-11-15-47(45)57(35,3)55-53(51(37-17-25-41(61-5)26-18-37)38-19-27-42(62-6)28-20-38)54(56(55)58(4)36(2)34-50(60)46-14-10-12-16-48(46)58)52(39-21-29-43(63-7)30-22-39)40-23-31-44(64-8)32-24-40;/h9-34,51-52,55-56H,1-8H3;1H2/t55-,56-,57-,58-;/m0./s1
| Identification Number: | 10.5258/ecrystals/750 |
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| Date Created: | 25 November 1998 |
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| Deposited On: | 14 Aug 2013 23:43 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C58 H52 O6.50 |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | C2/c |
| Cell length a | 28.5785(4) |
| Cell length b | 17.9547(3) |
| Cell length c | 22.7496(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 118.6490(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0803 |
| R Factor (All) | 0.0974 |
| Weighted R Factor (Obs) | 0.2323 |
| Weighted R Factor (All) | 0.2553 |
Citation: Heron, Mark (B.M.) and Light, Mark E. and Hursthouse, Michael B. (1998) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/750)
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