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X-ray crystal and molecular structure of upper rim monoformylated calix[4]arene system

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Abstract

Selective formylation under controlled conditions leads to the formation of a monoformylated compound 11-formyl-25,27-bis(ethoxycarbonylmethoxy)-calix[4]arene (1). The spectroscopic results indicated that the calix[4]arene is present in a cone conformation. The crystal and molecular structure of (1) has been determined by X-ray diffraction methods. The crystal data are monoclinic, space group P2 1/c, M= 624.66, a= 10.341(1), b=15.176(1), c= 20.121(1) Å, β = 91.90°(1), V= 3156.0(4) Å3, Z= 4, D c = 1.315 g cm−3. The structure confirms the cone conformation for the molecule in the solid state as well.

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Authors and Affiliations

  1. Department of Chemistry, Indian Institute of Technology, New Delhi, India

    Vandana Arora & H.M. Chawla

  2. Department of Chemistry, Guru Nanak Dev University, Amritsar, 143005, Punjab, India

    Geeta Hundal

Authors
  1. Vandana Arora
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  2. H.M. Chawla
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  3. Geeta Hundal
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Correspondence to Geeta Hundal.

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Arora, V., Chawla, H. & Hundal, G. X-ray crystal and molecular structure of upper rim monoformylated calix[4]arene system. Journal of Chemical Crystallography 34, 465–469 (2004). https://doi.org/10.1023/B:JOCC.0000035388.03376.c2

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  • DOI: https://doi.org/10.1023/B:JOCC.0000035388.03376.c2

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