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Caulerpin.

M Parvez1, J Ara, V Sultana

  • 1Department of Chemistry, The University of Calgary, 2500 University Drive NW, Calgary, Alberta, Canada T2N 1N4.

Acta Crystallographica. Section C, Crystal Structure Communications
|July 21, 2004
PubMed
Summary
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The crystal structure of caulerpin, an indole alkaloid, was redetermined in the correct space group C2/c. This study clarifies its molecular symmetry and conformation, revealing stabilizing intermolecular interactions.

Area of Science:

  • Crystallography
  • Organic Chemistry
  • Molecular Biology

Background:

  • Caulerpin is an indole alkaloid with a known crystal structure.
  • Previous structural determination was reported in space group Cc.
  • Accurate structural data is crucial for understanding molecular properties and interactions.

Purpose of the Study:

  • To redetermine the crystal structure of caulerpin.
  • To confirm the correct crystallographic space group.
  • To analyze the molecular conformation and symmetry of caulerpin.

Main Methods:

  • Single-crystal X-ray diffraction.
  • Crystallographic data collection and analysis.
  • Structure refinement and validation.

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Main Results:

  • Caulerpin crystal structure redetermined in space group C2/c.
  • The molecule exhibits twofold crystallographic symmetry.
  • Indole groups are fused to a boat-conformed cyclooctatetraene ring.
  • Stabilizing intermolecular and intramolecular interactions were identified.

Conclusions:

  • The corrected crystal structure provides accurate molecular details of caulerpin.
  • Understanding caulerpin's structure aids in studying indole alkaloids.
  • The identified interactions are key to caulerpin's stability.