New tetralactam hosts for squaraine dyes.
Dempsey, Janel M.; Zhang, Qi-Wei; Oliver, Allen G.; Smith, Bradley D.; Organic & biomolecular chemistry 16 (2018) 8976–8983; doi:10.1039/c8ob02596g

data_7156568
_publ_section_title
;
 New tetralactam hosts for squaraine dyes.
;
_journal_issue                   46
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              8976
_journal_page_last               8983
_journal_paper_doi               10.1039/c8ob02596g
_journal_volume                  16
_journal_year                    2018
_chemical_formula_moiety         'C46 H48 N4 O14'
_chemical_formula_sum            'C46 H48 N4 O14'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-10-11 deposited with the CCDC.
2018-11-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'Bruker SAINT (Bruker, 2015)'
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_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'combination of \w and \f-scans '
_diffrn_radiation_type           MoK\a
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_colour            colorless
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_exptl_crystal_description       tablet
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_exptl_crystal_preparation       Fluorescent
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_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0550P)^2^+1.2642P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1061
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                7850
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 7156568.cif.'
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_shelx_res_checksum              77006
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