Journal Article PUBDB-2026-01699

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L-threo-D-galacto-Octitol: a curious non-classical order–disorder polytype with an 88 Å axis

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2026
Wiley-Blackwell Oxford [u.a.]

Acta crystallographica / Section B 82(3), 352 - 359 () [10.1107/S2052520626004907]
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Abstract: GalC8 [l-threo-d-galacto-octitol, systematic name (2S,3R,4R,5R,6R,7S)-octane-1,2,3,4,5,6,7,8-octol] crystallizes with a pseudo-tetragonal lattice featuring a long (~88 Å) c axis. The bulk of the structure possesses P43212 (Z = 1) pseudo-symmetry, whereby molecules are arranged linearly with eight molecules in a translation period, thus explaining the long c axis. According to this pseudo-symmetry, adjacent molecules are alternately related by 21 screw rotations (in <100> directions) and twofold rotations (in <110> directions). Due to an asymmetrical hydrogen-bonding network, symmetry is broken in the vicinity of the twofold rotation axes, leading to an overall P21 (Z0 = 4) space-group symmetry. The lost symmetry is retained as a twin operation. The structure can be classified as a `non-classical' OD polytype, in the sense that there are nonequivalent layer contacts, yet all members of the polytype family are locally equivalent. The main polytype is not of a maximum degree of order (MDO) and can be described as an alternation of fragments of the two MDO polytypes with P43 and P212121 symmetry, respectively.

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Contributing Institute(s):
  1. DOOR-User (DOOR ; HAS-User)
Research Program(s):
  1. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
  2. FS-Proposal: I-20231300 EC (I-20231300-EC) (I-20231300-EC)
Experiment(s):
  1. PETRA Beamline P24 (PETRA III)

Appears in the scientific report 2026
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 Record created 2026-06-02, last modified 2026-06-05


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