Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.
Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling; Chemical communications (Cambridge, England) 54 (2018) 10240–10243; doi:10.1039/c8cc05390a

data_7125335
_publ_section_title
;
 Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.
;
_journal_issue                   73
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              10240
_journal_page_last               10243
_journal_paper_doi               10.1039/c8cc05390a
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C17 H14 N2 O2 S'
_chemical_formula_sum            'C17 H14 N2 O2 S'
_chemical_formula_weight         310.38
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_block_doi                 10.5517/ccdc.csd.cc1p4k7m
_audit_update_record
;
2017-06-01 deposited with the CCDC.
2018-07-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.316(18)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.1819(13)
_cell_length_b                   12.909(3)
_cell_length_c                   16.108(3)
_cell_measurement_reflns_used    1538
_cell_measurement_temperature    294.29(18)
_cell_measurement_theta_max      24.3560
_cell_measurement_theta_min      3.3270
_cell_volume                     1473.7(5)
_diffrn_ambient_temperature      294.29(18)
_diffrn_measured_fraction_theta_full 0.9992
_diffrn_measured_fraction_theta_max 0.9992
_diffrn_measurement_device_type  agilent
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1015
_diffrn_reflns_av_unetI/netI     0.1315
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11613
_diffrn_reflns_theta_full        24.9999
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.87
_exptl_absorpt_coefficient_mu    0.228
_exptl_crystal_density_diffrn    1.3988
_exptl_crystal_description       block
_exptl_crystal_F_000             648.7721
_refine_diff_density_max         0.4096
_refine_diff_density_min         -0.4828
_refine_diff_density_rms         0.1174
_refine_ls_d_res_high            0.8409
_refine_ls_d_res_low             7.0872
_refine_ls_goodness_of_fit_ref   1.0019
_refine_ls_matrix_type           full
_refine_ls_number_constraints    23
_refine_ls_number_parameters     201
_refine_ls_number_reflns         2600
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0019
_refine_ls_R_factor_all          0.1176
_refine_ls_R_factor_gt           0.0643
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0473P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1218
_refine_ls_wR_factor_ref         0.1486
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_reflns_limit_h_max              8
_reflns_limit_h_min              -8
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              19
_reflns_limit_l_min              0
_reflns_number_gt                1572
_reflns_number_total             2600
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c8cc05390a2.cif
_cod_data_source_block           exp_3629
_cod_database_code               7125335