A more benign approach to the synthesis of calixarenes
Makha, Mohamed; Raston, Colin L.; Skelton, Brian W.; White, Allan H.; Green Chemistry 6 (2004) 158–; doi:10.1039/b315204a

data_7204801
_publ_section_title
;
 A more benign approach to the synthesis of calixarenes
;
_journal_issue                   3
_journal_name_full               'Green Chemistry'
_journal_page_first              158
_journal_paper_doi               10.1039/b315204a
_journal_volume                  6
_journal_year                    2004
_chemical_formula_moiety         'C64 H64 O4, 2(C7 H8)'
_chemical_formula_sum            'C78 H80 O4'
_chemical_formula_weight         1081.58
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 91.02(5)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   27.15(2)
_cell_length_b                   14.785(12)
_cell_length_c                   31.326(17)
_cell_measurement_reflns_used    8
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      17.6
_cell_measurement_theta_min      14.0
_cell_volume                     12573(15)
_computing_cell_refinement       'Enraf Nonius software'
_computing_data_collection       'Enraf Nonius software'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  xtal
_computing_structure_solution    xtal
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type
;
CAD4 diffractometer
;
_diffrn_measurement_method       '2\q-\w scans'
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .026
_diffrn_reflns_av_sigmaI/netI    .033
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            11628
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         1.3
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         8
_exptl_absorpt_coefficient_mu    .069
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
?
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.143
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4054
_exptl_crystal_size_max          1.05
_exptl_crystal_size_mid          .70
_exptl_crystal_size_min          .65
_refine_diff_density_max         .53
_refine_diff_density_min         -.56
_refine_ls_extinction_coef       4646(450)
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   1.34
_refine_ls_goodness_of_fit_ref   1.15
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     741
_refine_ls_number_reflns         5153
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .144
_refine_ls_R_factor_gt           .072
_refine_ls_shift/su_max          .048
_refine_ls_shift/su_mean         .007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .098
_refine_ls_wR_factor_ref         .144
_reflns_d_resolution_high        .842
_reflns_d_resolution_low         15.661
_reflns_limit_h_max              32
_reflns_limit_h_min              0
_reflns_limit_k_max              17
_reflns_limit_k_min              0
_reflns_limit_l_max              37
_reflns_limit_l_min              -37
_reflns_number_gt                5153
_reflns_number_total             11001
_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            b315204a.txt
_cod_data_source_block           clrcal
_cod_original_sg_symbol_Hall     -c_2yc
_cod_original_sg_symbol_H-M      C_1_2/c_1
_cod_database_code               7204801