1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of –COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies
Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P.; The Journal of Organic Chemistry 76 (2011) 127–137; doi:10.1021/jo101759f

data_4025945
_publ_section_title
;
 1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of --COOH
 Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental
 and Computational Studies
;
_journal_coden_ASTM              JOCEAH
_journal_issue                   1
_journal_name_full               'The Journal of Organic Chemistry'
_journal_page_first              127
_journal_page_last               137
_journal_paper_doi               10.1021/jo101759f
_journal_volume                  76
_journal_year                    2011
_chemical_formula_sum            'C21 H25 N O4'
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;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0440P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo101759f_si_002.cif
_cod_data_source_block           cpr081
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-11
;
_cod_original_cell_volume        2042.8(11)
_cod_database_code               4025945