Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.
Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin; The Journal of organic chemistry 80 (2015) 6300–6312; doi:10.1021/acs.joc.5b00745

data_4031089
_publ_section_title
;
 Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis
 of Large Carbazolophanes.
;
_journal_issue                   12
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              6300
_journal_page_last               6312
_journal_paper_doi               10.1021/acs.joc.5b00745
_journal_volume                  80
_journal_year                    2015
_chemical_formula_moiety         'C72 H60 Br8 N4'
_chemical_formula_sum            'C72 H60 Br8 N4'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 92.01(5)
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_cell_formula_units_Z            2
_cell_length_a                   10.559(4)
_cell_length_b                   12.438(4)
_cell_length_c                   25.464(9)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      60
_cell_measurement_theta_min      2
_cell_volume                     3273(2)
_computing_cell_refinement       'CrysAlis RED, Agilent Technologies (2011)'
_computing_data_collection       'CrysAlis CCD, Agilent Technologies (2011)'
_computing_data_reduction        'CrysAlis RED, Agilent Technologies (2011)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
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_diffrn_measurement_device_type  'KUMA KM4 CCD \k-geometry diffractometer'
_diffrn_measurement_method       \w
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_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.1696
_diffrn_reflns_av_sigmaI/netI    0.3292
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
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_diffrn_reflns_limit_k_min       -15
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_exptl_absorpt_correction_type   analytical
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
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_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.07
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_refine_ls_number_reflns         12115
_refine_ls_number_restraints     2
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w=1/[\s^2^(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0639
_refine_ls_wR_factor_ref         0.0745
_reflns_number_gt                3839
_reflns_number_total             12115
_reflns_threshold_expression     >2sigma(I)
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_cod_depositor_comments
'Adding full bibliography for 4031087--4031094.cif.'
_cod_original_sg_symbol_Hall     -P1
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_cod_database_code               4031089