Sample Originator: P. Hancock, Michael B. Hursthouse, P. J. Murphy and Mark E. Light.
C23H23O3P
InChI=1/C23H23O3P/c1-2-26-23(24)18-22(19-12-6-3-7-13-19)27(25,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,2,18H2,1H3/t22-/m1/s1
| Identification Number: | 10.5258/ecrystals/39 |
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| Controlled Keywords: | by-product of novel cyclization reaction |
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| Date Created: | 17 April 2002 |
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| Deposited On: | 21 Jan 2008 15:28 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
The title compound, Ph2P(O)CH(Ph)CH2COOEt or C23H23O3P, (I), assembles into columns extending down the a axis, via C-HO hydrogen bonds. Compound (I) was isolated as a by-product in studies related to the development of a novel cyclization reaction [Evans et al. (2002). Tetrahedron Lett. 43, 299-301] and was synthesized independently to confirm its structure.
DOI: 10.1107/S1600536802014642
Data collection parameters
| Chemical formula | C23 H23 O3 P |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | P212121 |
| Cell length a | 5.788(5) |
| Cell length b | 17.499(5) |
| Cell length c | 19.463(5) |
| Cell angle alpha | 90.000(5) |
| Cell angle beta | 90.000(5) |
| Cell angle gamma | 90.000(5) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0552 |
| R Factor (All) | 0.1106 |
| Weighted R Factor (Obs) | 0.0939 |
| Weighted R Factor (All) | 0.1102 |
Citation: Hancock, P. and Hursthouse, Michael B. and Murphy, P. J. and Light, Mark E. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/39)
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