The crystal structure of 1,2-dipalmitoyl-sn-glycerol at 123 K
โ Scribed by Gye Won Han; J.R. Ruble; B.M. Craven
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 595 KB
- Volume
- 71
- Category
- Article
- ISSN
- 0009-3084
No coin nor oath required. For personal study only.
โฆ Synopsis
At 123 K, the crystal structure of 1,2-dipalmitoyl-sn-glycerol (C35H6sOs, M r = 568.9) is monoclinic with space group P2 l, a = 5.480(1), b = 7.301(1), c = 43.145(7)/k, fl = 92.91(1) ยฐ, V= 1724 ,~ 3 Dc = 1.0960 g cm -3 and Z = 2. Integrated X-ray intensities for 3574 independent reflections were measured with Ni-filtered Cu-Ku radiation (h = 1.5418 ,~, /z =0.56 mm-J), and these were all used in a full-matrix least-squares refinement which gave R(F 2) = 0.142. Bond lengths and angles have e.s.d.s less than 0.01 ,~ and 0.1 ยฐ for non-hydrogen atoms. Comparison with a previously reported study of the room temperature structure shows a very similar orthorhombic mode of chain packing but significant conformational differences in the polar headgroup. These changes may occur in conjunction with small changes in enthalpy (less than 1 kJ/mol) observed at 202, 193 and 136 K and with a discontinuity in the unit cell volume observed in the range 200-190 K. Analysis of the atomic mean square displacements at 123 K indicates the presence of internal torsional vibrations in the headgroup region that involve the carbonyl and hydroxyl O-atoms.
๐ SIMILAR VOLUMES
The molecular structure of [ l.l.l]propellane has been determined from single-crystal X-ray diffraction measurements at 138 K. The crystals of this reactive compound were grown from the melt at ca. 263 K. The space group is C2, and the asymmetric unit contains four molecules. All have large thermal
Electron-spin-echo experiments at 95 GHz and 1.2 K reveal that the triplet excitation of a single crystal of CeO is delocalized over either a pair or a chain oft& molecules along ( 110) directions. Two distinct triplet species have been observed in a one-toone ratio which verifies the proposed 2 a0
The crystal structure of pyrene II, previously postulated from electron diffraction measurements and potential energy calculations, has been confirmed and refined from high-resolution neutron powder diffraction data collected from a fully deuterated sample at 4.2 K.