By Jane F. Griffin, William L. Duax, Charles M. Weeks (auth.), Jane F. Griffin, William L. Duax, Charles M. Weeks (eds.)
model. mostly, the suggest atomic positions and the geometrical parameters calculated from them are extra exact if the extra refined anisotropic version has been used for the thermal movement in the course of constitution refinement. Low temperature facts assortment additionally ends up in extra safely decided constructions. by way of lowering the temperature at which info is amassed, the intensities and variety of information saw is elevated. due to the fact that hydrogen atoms have just a unmarried electron, they scatter X-rays very weakly, and so they might be saw experimentally provided that the information are of fine caliber. ultimately, within the absence of systematic blunders in information assortment or refinement, tae larger the variety of saw info relative to the variety of self sufficient atoms, the higher the atomic solution might be. desk 1 is a precis of the data 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 proportional to atomic quantity. Hydrogen, deuterium, carbon, oxygen and nitrogen scatter neutrons with nearly equivalent depth. moreover, hydrogen and deuterium scatter out of part to be able to be individual wita excessive precision. 20-Methyl-5-pregnene-3S,20-diol (PR104N) is the single steroid which has been the topic of a neutron diffraction examine. The research was once undertaken to envision the stereospecificity of Grignard addition utilizing deuterated reagent. information have been accrued at 123°K.
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Extra resources for Atlas of Steroid Structure: Volume 2
021. 021 RMSO o OI~Ek ATOM Pl>S/T IIlN u3 , I' 1<'3 21 ~-2 V ? ' OJ R I'H"MOL~CUlAI< AlUM T! le~/CC 1878 ASYMMETRY "" .. 581 1,539 C5 Cb C7 C8 C9 CI0 Cb C7 C8 C9 t10 CS 92,9 89,7 89,& 810,6 CI0 C5 Cb C7 C8 C9 C5 C/o C7 C8 C9 1,498 I,S30 1,541 1,514 1,52l! 1,508 C9 CII CI2 el3 tl4 C8 C8 C9 CII CIl! 4 1,534 1,517 CI3 CI4 CIS Clb C17 109,5 123,2 124,2 110,7 107,2 113,3 CI7 el3 CI4 CIS tlb CI3 CI4 CI5 Clio CI7 CI7 CI3 CI4 CIS Clio CI! CIII CIS Clio CI7 1,534 1,521 1,538 1,535 1,537 CI4 CIS Clio cn til VALENCY ANGLES Cll C3 CI0 CI C& C7 C8 C9 CI0 t5 tl~ ce CI4 C8 C9 CII CI2 Cil 113,4 110,2 113,3 110,8 114,1 110,2 C9 CII CI2 CI3 C9 CII CIl!
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 . 1AB Cl4AM-0174 CI1U-CIU8 3 ,I ~ 4,73 4,90 2,50 CI7Al-OI7A C17A6-017A 3,01 3,02 ES32 A2 ES32A2 STEROID RINGS RING A RING 8 RING ~ONO CI C2 C3 C4 C5 CI0 C2 CA C5 CI0 CI Clio!
4 FUNCTlO'AL. GROUP DISTANCES: CI8-0! ~i! 583 C5 Cb C7 C8 C9 CIIiJ Cb C7 C8 C9 C10 C5 C5 Cb C7 01STANC~S C8 C9 CI! ES CI0 CI C2 C3 C4 C5 CI C2 C3 C4 C5 CU C2 C3 C4 C5 C10 CI 106,b UB.? 9 I U. 1 BONO o I STANCES el- RING .. 8 113. 4 C2. ~ 114. I VALENCY Cli' CH tl7 C8 el3 CI& CI3 CI3 CI3 CI4 CP CI1 CI8 CI8 CI8 CIS 017S 0116 TOk510N C2 (2 C2C2. (I (1 CICI- CI CI CI- el- C2 C? 0 03 ANG~ES CI0 t] TORSION ANG~ES C9 CI_ CI C9 03 C2. "q'(5J 9". 3b(1) 9v, • l~h7. b 8,4 P'RA~UERS CS (I) C2l~-7J C2(8-9) (2 (Ib) CONfOR~,'TIONS: 1/2 FUNCTIONAL .
Atlas of Steroid Structure: Volume 2 by Jane F. Griffin, William L. Duax, Charles M. Weeks (auth.), Jane F. Griffin, William L. Duax, Charles M. Weeks (eds.)