Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors
Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka; Organic & Biomolecular Chemistry 2 (2004) 3427–3431; doi:10.1039/b411286e

data_7153539
_publ_section_title
;
 Preparation of 2- and
 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent
 antagonistic activity against human leukotriene B4 BLT1 and/or BLT2
 receptors
;
_journal_issue                   23
_journal_name_full               'Organic &amp;  Biomolecular Chemistry'
_journal_page_first              3427
_journal_page_last               3431
_journal_paper_doi               10.1039/b411286e
_journal_volume                  2
_journal_year                    2004
_chemical_formula_moiety         'C31 H31 N O4 '
_chemical_formula_sum            'C31 H31 N O4'
_chemical_formula_weight         481.59
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Mon Nov 17 16:28:15 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                104.45(1)
_cell_angle_beta                 105.78(1)
_cell_angle_gamma                96.235(8)
_cell_formula_units_Z            2
_cell_length_a                   10.259(1)
_cell_length_b                   16.120(2)
_cell_length_c                   8.654(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      29.2
_cell_volume                     1309.5(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR88
_diffrn_measured_fraction_theta_full 0.9979
_diffrn_measured_fraction_theta_max 0.9979
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5074
_diffrn_reflns_theta_full        67.60
_diffrn_reflns_theta_max         67.60
_diffrn_standards_decay_%        0.52
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.642
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.50
_refine_ls_extinction_coef       0.033(9)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.358
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4727
_refine_ls_R_factor_gt           0.0587
_refine_ls_shift/su_max          0.0029
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.06500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1827
_reflns_number_gt                2503
_reflns_number_total             4727
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b411286esup1.cif
_cod_data_source_block           compound_2
_cod_original_cell_volume        1309.5(3)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C31 H31 N O4 '
_cod_database_code               7153539