Solid state stabilisation of the orally delivered drugs atenolol, glibenclamide, memantine and paracetamol through their complexation with cucurbit[7]uril.
McInnes, Fiona J.; Anthony, Nahoum G.; Kennedy, Alan R.; Wheate, Nial J.; Organic & biomolecular chemistry 8 (2010) 765–773; doi:10.1039/b918372h

data_7153257
_publ_section_title
;
 Solid state stabilisation of the orally delivered drugs atenolol,
 glibenclamide, memantine and paracetamol through their complexation with
 cucurbit[7]uril.
;
_journal_issue                   4
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              765
_journal_page_last               773
_journal_paper_doi               10.1039/b918372h
_journal_volume                  8
_journal_year                    2010
_chemical_formula_sum            'C54 H84.14 Cl N29 O24.07'
_chemical_formula_weight         1560.26
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.735(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.273(10)
_cell_length_b                   17.264(9)
_cell_length_c                   38.427(19)
_cell_measurement_reflns_used    936
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      20.86
_cell_measurement_theta_min      2.47
_cell_volume                     13818(12)
_computing_cell_refinement       'Bruker Apex2'
_computing_data_collection       'Rigaku CrystalClear'
_computing_data_reduction        'Bruker Apex2'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR 2004'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type
;
Rigaku Saturn 724+ detector on Crystal Logics diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  'Si double crystal'
_diffrn_radiation_source         'DIAMOND beamline I19'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.68890
_diffrn_reflns_av_R_equivalents  0.0856
_diffrn_reflns_av_sigmaI/netI    0.0711
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            96875
_diffrn_reflns_theta_full        23.00
_diffrn_reflns_theta_max         23.00
_diffrn_reflns_theta_min         2.21
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.156
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             6566
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.004
_refine_diff_density_max         1.077
_refine_diff_density_min         -0.482
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       0.0041(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2070
_refine_ls_number_reflns         20850
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1242
_refine_ls_R_factor_gt           0.0793
_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^)+(0.1410P)^2^+20.8404P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2141
_refine_ls_wR_factor_ref         0.2513
_reflns_number_gt                13159
_reflns_number_total             20850
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b918372h.txt
_cod_data_source_block           ssi0191
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7153257