Synthetic protocol for diarylethenes through Suzuki-Miyaura coupling
Satoru Hiroto; Katsuya Suzuki; Hiroki Kamiya; Hiroshi Shinokubo; Chem.Commun. 47 (2011) 7149–; doi:10.1039/c1cc12020d

data_7106552
_publ_section_title
;
 Synthetic protocol for diarylethenes through Suzuki-Miyaura coupling
;
_journal_name_full               Chem.Commun.
_journal_page_first              7149
_journal_paper_doi               10.1039/c1cc12020d
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C140.63 H161.97 F6 N9 Ni2 O6.09'
_chemical_formula_weight         2307.22
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                88.392(5)
_cell_angle_beta                 70.931(5)
_cell_angle_gamma                68.140(5)
_cell_formula_units_Z            2
_cell_length_a                   17.203(5)
_cell_length_b                   17.778(5)
_cell_length_c                   24.873(5)
_cell_measurement_reflns_used    6824
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.48
_cell_volume                     6635(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_av_sigmaI/netI    0.0850
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            37160
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.87
_exptl_absorpt_coefficient_mu    0.348
_exptl_absorpt_correction_T_max  0.9337
_exptl_absorpt_correction_T_min  0.7682
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.155
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2455
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.80
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.362
_refine_diff_density_min         -0.772
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1671
_refine_ls_number_reflns         23123
_refine_ls_number_restraints     2431
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1146
_refine_ls_R_factor_gt           0.0909
_refine_ls_shift/su_max          0.082
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1246P)^2^+28.4948P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2512
_refine_ls_wR_factor_ref         0.2749
_reflns_number_gt                17491
_reflns_number_total             23123
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc12020d.txt
_cod_data_source_block           x21hiro
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7106552