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_7125339
_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         'C16 H12 N2, H2 O'
_chemical_formula_sum            'C16 H14 N2 O'
_chemical_formula_weight         250.30
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_block_doi                 10.5517/ccdc.csd.cc1z0xd9
_audit_update_record
;
2018-01-19 deposited with the CCDC.
2018-07-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7290(15)
_cell_length_b                   14.295(5)
_cell_length_c                   15.456(4)
_cell_measurement_reflns_used    424
_cell_measurement_temperature    294.29(18)
_cell_measurement_theta_max      19.7470
_cell_measurement_theta_min      4.0260
_cell_volume                     1265.8(6)
_diffrn_ambient_temperature      294.29(18)
_diffrn_measured_fraction_theta_full 0.9152
_diffrn_measured_fraction_theta_max 0.9152
_diffrn_measurement_device_type  agilent
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_av_unetI/netI     0.1365
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4004
_diffrn_reflns_theta_full        24.9988
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    0.084
_exptl_crystal_density_diffrn    1.3133
_exptl_crystal_description       block
_exptl_crystal_F_000             528.2210
_refine_diff_density_max         0.3860
_refine_diff_density_min         -0.3832
_refine_diff_density_rms         0.0961
_refine_ls_abs_structure_details
'Flack, H. D. (1983). Acta Cryst. A39, 876-881.'
_refine_ls_abs_structure_Flack   8.2(9)
_refine_ls_d_res_high            0.8409
_refine_ls_d_res_low             7.1477
_refine_ls_goodness_of_fit_ref   1.0593
_refine_ls_matrix_type           full
_refine_ls_number_constraints    25
_refine_ls_number_parameters     176
_refine_ls_number_reflns         2039
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0593
_refine_ls_R_factor_all          0.1325
_refine_ls_R_factor_gt           0.0744
_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^)+(0.0171P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0878
_refine_ls_wR_factor_ref         0.1071
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_reflns_limit_h_max              6
_reflns_limit_h_min              -6
_reflns_limit_k_max              16
_reflns_limit_k_min              -16
_reflns_limit_l_max              18
_reflns_limit_l_min              -18
_reflns_number_gt                1289
_reflns_number_total             2039
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c8cc05390a2.cif
_cod_data_source_block           exp_4320
_cod_original_cell_volume        1265.9(6)
_cod_original_sg_symbol_Hall     ' P 2ac 2ab'
_cod_database_code               7125339