Dimerization Control in the Self-Assembly Behavior of Copillar[5]arenes Bearing ω-Hydroxyalkoxy Groups
Luzhi Liu; Lingyun Wang; Changchun Liu; Zhiyong Fu; Herbert Meier; Derong Cao; Journal of Organic Chemistry 77 (2012) 9413–9417; doi:10.1021/jo301779y

data_4027615
_publ_section_title
;
 Dimerization Control in the Self-Assembly Behavior of Copillar[5]arenes
 Bearing \w-Hydroxyalkoxy Groups
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9413
_journal_page_last               9417
_journal_paper_doi               10.1021/jo301779y
_journal_volume                  77
_journal_year                    2012
_chemical_formula_sum            'C52 H56 Cl6 O11'
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_chemical_name_systematic
; 
 ? 
;
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_cell_angle_alpha                89.896(2)
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.938
_diffrn_measured_fraction_theta_max 0.938
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_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -23
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_diffrn_reflns_limit_k_min       -25
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_diffrn_reflns_theta_full        65.44
_diffrn_reflns_theta_max         65.44
_diffrn_reflns_theta_min         5.56
_exptl_absorpt_coefficient_mu    3.242
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_exptl_crystal_F_000             4464
_refine_diff_density_max         6.624
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_refine_diff_density_rms         0.232
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         36215
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_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.1925
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.5000P)^2^+20.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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