Highly selective formation of 2∶2 macrocycles from a novel hydroxybenzaldehyde derivative and diamines
Houjou, Hirohiko; Lee, Sung-Kil; Hishikawa, Yukio; Nagawa, Yoshinobu; Hiratani, Kazuhisa; Chemical Communications  (2000) 2197–; doi:10.1039/b005536k

data_7111058
_publ_section_title
;
 Highly selective formation of 2&#x2236;2 macrocycles from a novel
 hydroxybenzaldehyde derivative and diamines
;
_journal_issue                   22
_journal_name_full               'Chemical Communications'
_journal_page_first              2197
_journal_paper_doi               10.1039/b005536k
_journal_year                    2000
_chemical_formula_moiety         'C18 H16 O4 '
_chemical_formula_sum            'C18 H16 O4'
_chemical_formula_weight         296.32
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.181(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.9346(4)
_cell_length_b                   14.3035(8)
_cell_length_c                   13.3949(7)
_cell_measurement_reflns_used    11568
_cell_measurement_temperature    193.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.1
_cell_volume                     1485.99(14)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9988
_diffrn_measured_fraction_theta_max 0.9988
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            3555
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.093
_exptl_absorpt_correction_T_max  0.963
_exptl_absorpt_correction_T_min  0.891
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          1.200
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.400
_refine_diff_density_max         0.25
_refine_diff_density_min         -0.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   3.547
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     247
_refine_ls_number_reflns         2967
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.0005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.00800(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0779
_reflns_number_gt                2882
_reflns_number_total             3410
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b005536ksup1.cif
_cod_data_source_block           aloh
_cod_original_cell_volume        1486.0(1)
_cod_original_formula_sum        'C18 H16 O4 '
_cod_database_code               7111058