Small-molecule/polymer recognition triggers aqueous-phase assembly and encapsulation.
Zhou, Zhun; Bong, Dennis; Langmuir : the ACS journal of surfaces and colloids 29 (2013) 144–150; doi:10.1021/la304457y

data_4507437
_publ_section_title
;
 Small-molecule/polymer recognition triggers aqueous-phase assembly and
 encapsulation.
;
_journal_issue                   1
_journal_name_full
'Langmuir : the ACS journal of surfaces and colloids'
_journal_page_first              144
_journal_page_last               150
_journal_paper_doi               10.1021/la304457y
_journal_volume                  29
_journal_year                    2013
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         '4(C4 H3 F N2 O2), 2(C3 H6 N6), 5(H2 O)'
_chemical_formula_sum            'C22 H34 F4 N20 O13'
_chemical_formula_weight         862.69
_chemical_name_common            'Bong 1887'
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
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_cell_angle_alpha                64.064(1)
_cell_angle_beta                 68.361(1)
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_cell_formula_units_Z            2
_cell_length_a                   11.9773(2)
_cell_length_b                   12.7553(2)
_cell_length_c                   13.8238(2)
_cell_measurement_reflns_used    8064
_cell_measurement_temperature    190(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      1.018
_cell_measurement_wavelength     0.71073
_cell_volume                     1764.53(5)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution
'SIR2004:  J. Appl. Cryst., (2005), 38, 381-388.'
_diffrn_ambient_temperature      190(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_orient_matrix_type       'by Bruker AXS Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      -0.468888E-1
_diffrn_orient_matrix_UB_12      0.151057E-1
_diffrn_orient_matrix_UB_13      -0.517688E-1
_diffrn_orient_matrix_UB_21      0.403854E-1
_diffrn_orient_matrix_UB_22      0.760435E-1
_diffrn_orient_matrix_UB_23      -0.518021E-1
_diffrn_orient_matrix_UB_31      0.651613E-1
_diffrn_orient_matrix_UB_32      -0.39957E-1
_diffrn_orient_matrix_UB_33      -0.43251E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            47371
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.78
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    0.147
_exptl_absorpt_correction_T_max  0.983
_exptl_absorpt_correction_T_min  0.779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'HKL Scalepack (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'triangular plate'
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.293
_refine_diff_density_min         -0.252
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         8075
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0699P)^2^+0.1051P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1046
_refine_ls_wR_factor_ref         0.1193
_reflns_number_gt                5558
_reflns_number_total             8075
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            la304457y_si_003.cif
_cod_data_source_block           Bong1887
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4507437