Conformational adaptations of acyclic receptor templated by weakly coordinating anions
Đilović, I.; Užarević, K.; CrystEngComm 17 (2015) 3153–; doi:10.1039/C4CE02413C

data_7219896
_publ_section_title
;
 Conformational adaptations of acyclic receptor templated by weakly
 coordinating anions
;
_journal_issue                   16
_journal_name_full               CrystEngComm
_journal_page_first              3153
_journal_paper_doi               10.1039/C4CE02413C
_journal_volume                  17
_journal_year                    2015
_chemical_compound_source        'chemical synthesis'
_chemical_formula_moiety         'C20 H26 N3 O6, Br'
_chemical_formula_sum            'C20 H26 Br N3 O6'
_chemical_formula_weight         484.34
_chemical_name_systematic
;
 ?
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;
2014-11-25 deposited with the CCDC.
2015-03-13 downloaded from the CCDC.
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_cell_angle_alpha                79.804(6)
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
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_computing_data_reduction
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
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_diffrn_ambient_temperature      150
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_diffrn_reflns_av_sigmaI/netI    0.0817
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_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.3
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_refine_ls_number_reflns         4551
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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^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2847
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_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c4ce02413c2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7219894--7219898.cif.'
_cod_original_cell_volume        1298.15(16)
_cod_database_code               7219896