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dl-Phenyl­alaninium tri­chloro­acetate

✍ Scribed by Rajagopal, K. ;Krishnakumar, R. V. ;Natarajan, S.

Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
514 KB
Volume
61
Category
Article
ISSN
1600-5368

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.008 A Ê Disorder in main residue R factor = 0.038 wR factor = 0.116 Data-to-parameter ratio = 9.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.033 wR factor = 0.085 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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Single-crystal X-ray study T = 123 K Mean '(C±C) = 0.002 A Ê R factor = 0.033 wR factor = 0.083 Data-to-parameter ratio = 19.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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ÁH 2 PO 4 À , the racemate has crystallizes in a non-centrosymmetric space group, Pc. However, both the phenylalaninium and dihydrogen phosphate residues are related by a pseudo-inversion center at about (0.5, 0.25, 0.25). Each phosphate anion forms a strong OÐHÁ Á ÁO hydrogen bond with a phenylalan