Sample Originator: N. Tomkinsonb.
Data Collection: Simon J. Colesa
Structure Determination: Michael B. Hursthousea and Simon J. Colesa.
University of Southamptona
Cardiff Universityb
C22H25ClN2O5
InChI=1/C22H25N2O.ClHO2.4H2O/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;1-3-2;;;;/h4-16,20H,17H2,1-3H3;2H;4*1H2/t20-;;;;;/m0...../s1
| Identification Number: | 10.5258/ecrystals/423 |
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| Date Created: | 12 May 2008 |
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| Deposited On: | 12 May 2008 21:02 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C22 H25 Cl N2 O5 |
| Crystal morphology | Block |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 9.7683(2) |
| Cell length b | 13.0654(2) |
| Cell length c | 16.8119(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 | 0.0949 |
| R Factor (Obs) | 0.0418 |
| R Factor (All) | 0.0490 |
| Weighted R Factor (Obs) | 0.1007 |
| Weighted R Factor (All) | 0.1051 |
Citation: Hursthouse, Michael B. and Coles, Simon J. and Tomkinson, N. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/423)
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