Pd-mediated synthesis of substituted benzenes fused with carbocycle/heterocycle.
Swamy, Nalivela Kumara; Tatini, Lakshmi Kumar; Babu, J Moses; Annamalai, Pazhanimuthu; Pal, Manojit; Chemical communications (Cambridge, England)  (2007) 1035–1037; doi:10.1039/b612770c

data_7101756
_publ_section_title
;
 Pd-mediated synthesis of substituted benzenes fused with
 carbocycle/heterocycle.
;
_journal_issue                   10
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1035
_journal_page_last               1037
_journal_paper_doi               10.1039/b612770c
_journal_year                    2007
_chemical_formula_moiety         'C22 H30 O3, C H Cl3 '
_chemical_formula_sum            'C23 H31 Cl3 O3'
_chemical_formula_weight         461.86
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.125(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.653(6)
_cell_length_b                   16.148(7)
_cell_length_c                   11.478(5)
_cell_measurement_reflns_used    9138
_cell_measurement_temperature    298
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.8
_cell_volume                     2341.8(19)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9881
_diffrn_measured_fraction_theta_max 0.9881
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            26740
_diffrn_reflns_theta_full        27.40
_diffrn_reflns_theta_max         27.40
_exptl_absorpt_coefficient_mu    0.412
_exptl_absorpt_correction_T_max  0.884
_exptl_absorpt_correction_T_min  0.856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             976.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.48
_refine_ls_extinction_coef       1172.1(11)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   0.921
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     300
_refine_ls_number_reflns         5278
_refine_ls_R_factor_gt           0.0900
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
7893.4700 10834.5000 2970.0900
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1670
_reflns_number_gt                2930
_reflns_number_total             5278
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b612770c.txt
_cod_data_source_block           DR-587-NKS-185_CHCl3_mono
_cod_original_formula_sum        'C23 H31 Cl3 O3 '
_cod_database_code               7101756