By Jane F. Griffin, William L. Duax, Charles M. Weeks (auth.), Jane F. Griffin, William L. Duax, Charles M. Weeks (eds.)

model. normally, the suggest atomic positions and the geometrical parameters calculated from them are extra actual if the extra subtle anisotropic version has been used for the thermal movement in the course of constitution refinement. Low temperature info assortment additionally ends up in extra properly decided constructions. via lowering the temperature at which facts is accumulated, the intensities and variety of info saw is elevated. considering that hydrogen atoms have just a unmarried electron, they scatter X-rays very weakly, and so they may be saw experimentally provided that the knowledge are of excellent caliber. eventually, within the absence of systematic mistakes in information assortment or refinement, tae higher the variety of saw information relative to the variety of self sufficient atoms, the higher the atomic solution may be. desk 1 is a precis of the knowledge utilized in assessing the reliability of a constitution. Neutron diffraction is the results of interplay of atomic nuclei with a neutron beam. The intensi ty of the diffracted beam isn't really proportional to atomic quantity. Hydrogen, deuterium, carbon, oxygen and nitrogen scatter neutrons with virtually equivalent depth. furthermore, hydrogen and deuterium scatter out of part on the way to be wonderful wita excessive precision. 20-Methyl-5-pregnene-3S,20-diol (PR104N) is the one steroid which has been the topic of a neutron diffraction learn. The learn used to be undertaken to check the stereospecificity of Grignard addition utilizing deuterated reagent. facts have been amassed at 123°K.

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CI4 tl3 (14 CIS CI7 rib CI7A Cl7 C17. 0 ! 7 168,6 Cli! 4 CIS CI& 73,& 173,0 cn OIU CITA C17 .. -74,S C17A CHAS 171. B CPA CI3 -115,1 C17A C17 .. ,/7a ,/7a- TETRAMETHYL-D-HOMO-18-NOR- I, J ,5(10)-ESTRATRIEN-17a-OL OH RING CONFORMATION A 8 C CHAIR RINGS In A ij C ALPHA 6tH GAMMA VOLUMt. A/~ 0 11,019(5) 7,299(4J 45,IHI) 9~. q~. Ci0. 3b30. 0ij5 C5(5) C2(8-9) CMUR RING JUNCTION ~32 CS(2-3) PLANAR INTCS-HCJ 0 CU 'SY"'''fT~Y BIC CID . (14-15) TORSION ANGLES 2 I 11/+/21 eSCl3) CONFOR~A 3,5 13,~ PARAMETERS .

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