Synthesis, structure, and anion binding of functional oxacalix[4]arenes.
Ma, Jiao-Xia; Fang, Xu; Xue, Min; Yang, Yong; Organic & biomolecular chemistry 17 (2019) 5075–5085; doi:10.1039/c9ob00613c

data_7156819
_publ_section_title
;
 Synthesis, structure, and anion binding of functional oxacalix[4]arenes.
;
_journal_issue                   20
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              5075
_journal_page_last               5085
_journal_paper_doi               10.1039/c9ob00613c
_journal_volume                  17
_journal_year                    2019
_chemical_formula_sum            'C44 H48 N4 O12'
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_audit_update_record
;
2018-10-15 deposited with the CCDC.    2019-04-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
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_computing_cell_refinement       'Bruker SMART'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.993
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_diffrn_measurement_method       'phi and omega scans'
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_exptl_absorpt_process_details   SADABS
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0519P)^2^+1.7116P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1180
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_cod_data_source_file            c9ob00613c2.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to 'constr'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7156819--7156821.cif.
;
_cod_original_cell_volume        4232.0(11)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7156819