Nickel-catalyzed [2 + 2 + 2] benzannulation of alkynes: a new route to the synthesis of highly substituted naphthalenes
Thavaselvan, Sampath; Parthasarathy, Kanniyappan; Organic & Biomolecular Chemistry  (2022) –; doi:10.1039/D2OB00513A

data_7158705
_publ_section_title
;
 Nickel-catalyzed [2 + 2 + 2] benzannulation of alkynes: a new route to
 the synthesis of highly substituted naphthalenes
;
_journal_name_full               'Organic &amp; Biomolecular Chemistry'
_journal_paper_doi               10.1039/D2OB00513A
_journal_year                    2022
_chemical_formula_sum            'C27 H22 N2'
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_audit_update_record
;
2022-02-02 deposited with the CCDC.	2022-05-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      69.84
_cell_measurement_theta_min      4.61
_cell_volume                     2056.67(10)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
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'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
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_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
'Bruker axs kappa apex3 PHOTON II Diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
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_diffrn_reflns_av_unetI/netI     0.0424
_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_source                   'micro focus sealed tube'
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_exptl_crystal_colour            colorless
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_refine_ls_extinction_coef       0.008(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   0.881
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_restrained_S_all      0.881
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1875P)^2^+0.3736P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2130
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_reflns_number_gt                3402
_reflns_number_total             3887
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_database_code               7158705
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_shelx_estimated_absorpt_t_min   0.846
_shelx_estimated_absorpt_t_max   0.913
_shelx_res_checksum              61521