Sample Originator: K Navakhuna and Phil A. Galea.
Data Collection: Simon J. Colesa
Structure Determination: Simon J. Colesa and Michael B. Hursthouse.
University of Southamptona
(C26H18Cl4N6O4) . 2(C16H36N)
InChI=1/2C26H24Cl4N6O4.C17H39N.3C16H36N/c2*27-15-17(29)21(25(39)33-13-7-3-1-4-8-13)35-19(15)23(37)31-11-12-32-24(38)20-16(28)18(30)22(36-20)26(40)34-14-9-5-2-6-10-14;1-4-7-11-18(12-8-5-2,13-9-6-3)14-10-15-16-17(15,19-20(16)17,21(16)22(16)17)23(16)24(16)17;3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h2*1-10,19-22,35-36H,11-12H2,(H,31,37)(H,32,38)(H,33,39)(H,34,40);4-15H2,1-3H3;3*5-16H2,1-4H3
| Identification Number: | 10.5258/ecrystals/316 |
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| Date Created: | 15 June 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C116 H180 Cl8 N16 O8 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 11.9582(2) |
| Cell length b | 23.1506(3) |
| Cell length c | 23.5489(4) |
| Cell angle alpha | 79.2250(10) |
| Cell angle beta | 82.9650(10) |
| Cell angle gamma | 75.4470(10) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0701 |
| R Factor (All) | 0.1288 |
| Weighted R Factor (Obs) | 0.1710 |
| Weighted R Factor (All) | 0.2074 |
Citation: Navakhun, K and Gale, Phil A. and Coles, Simon J. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/316)
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