Highly Substituted Medium-Sized Ring-Fused Azocinoquinoline Scaffolds by Post-Ugi-4CR Reductive Carbopalladation Cyclization.
Janatian Ghazvini, Helya; Müller, Thomas J J; Rominger, Frank; Balalaie, Saeed; The Journal of organic chemistry 84 (2019) 10740–10748; doi:10.1021/acs.joc.9b01269

data_4033835
_publ_section_title
;
 Highly Substituted Medium-Sized Ring-Fused Azocinoquinoline Scaffolds by
 Post-Ugi-4CR Reductive Carbopalladation Cyclization.
;
_journal_issue                   17
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              10740
_journal_page_last               10748
_journal_paper_doi               10.1021/acs.joc.9b01269
_journal_volume                  84
_journal_year                    2019
_chemical_formula_sum            'C39 H35 Cl6 N3 O2'
_chemical_formula_weight         790.40
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
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_cell_length_c                   28.396(3)
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_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 1.000
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_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0674
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
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_diffrn_source                   'ImuS microsource'
_exptl_absorpt_coefficient_mu    0.481
_exptl_absorpt_correction_T_max  0.9446
_exptl_absorpt_correction_T_min  0.8811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Sheldrick, G. M. (2008). <i>SADABS</i>. University of G\"ottingen, Germany.
;
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.354
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_refine_ls_number_reflns         6865
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_refine_ls_R_factor_all          0.1072
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0380P)^2^+2.0608P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             6865
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        3878.0(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4033835
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.910
_shelx_estimated_absorpt_t_max   0.933
_shelx_res_checksum              68953
_shelx_hkl_checksum              57289