Calixradialenes: calixarene derivatives with exocyclic double bonds.
Poms, David; Itzhak, Norbert; Kuno, Lev; Biali, Silvio E.; The Journal of organic chemistry 79 (2014) 538–545; doi:10.1021/jo402223x

data_4028974
_publ_section_title
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 Calixradialenes: calixarene derivatives with exocyclic double bonds.
;
_journal_issue                   2
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              538
_journal_page_last               545
_journal_paper_doi               10.1021/jo402223x
_journal_volume                  79
_journal_year                    2014
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
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_diffrn_reflns_limit_l_min       -22
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.085
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       shapeless
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0513P)^2^+6.9305P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1914
_refine_ls_wR_factor_ref         0.1945
_reflns_number_gt                10643
_reflns_number_total             11314
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo402223x_si_001.cif
_cod_data_source_block           davidp5m
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        5760.4(8)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4028974