Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.
Beesu, Mallesh; Mehta, Goverdhan; The Journal of organic chemistry 84 (2019) 8731–8742; doi:10.1021/acs.joc.9b00950

data_4034146
_publ_section_title
;
 Synthesis of Quinolines and Isoquinolines via Site-Selective, Domino
 Benzannulation of 2- and 3-Chloropyridyl Ynones with Nitromethane.
;
_journal_issue                   13
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              8731
_journal_page_last               8742
_journal_paper_doi               10.1021/acs.joc.9b00950
_journal_volume                  84
_journal_year                    2019
_chemical_formula_sum            'C22 H15 Br N2 O3'
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_cell_angle_gamma                90
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_cell_length_c                   16.9890(7)
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_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
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_diffrn_reflns_av_R_equivalents  0.0708
_diffrn_reflns_av_unetI/netI     0.0349
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_theta_max         27.563
_diffrn_reflns_theta_min         2.436
_exptl_absorpt_coefficient_mu    2.192
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'color less'
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_description       Block
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.21
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_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.596
_refine_diff_density_min         -0.507
_refine_diff_density_rms         0.051
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_refine_ls_R_factor_all          0.0744
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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^)+(0.0637P)^2^+0.8710P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2975
_reflns_number_total             4368
_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_res_checksum              59385
_shelx_hkl_checksum              84659