SnCl2-catalyzed synthesis of dihydro-5H-benzo[f]pyrazolo[3,4-b]quinoline and dihydroindeno[2,1-b]pyrazolo[4,3-e]pyridine with high fluorescence and their photophysical properties
Manickam, Saravanakumar; Balijapalli, Umamahesh; Sathiyanarayanan, Kulathu Iyer; New Journal of Chemistry 42 (2018) 860–; doi:10.1039/C7NJ03654J

data_7056767
_publ_section_title
;
 SnCl2-catalyzed synthesis of dihydro-5H-benzo[f]pyrazolo[3,4-b]quinoline
 and dihydroindeno[2,1-b]pyrazolo[4,3-e]pyridine with high fluorescence
 and their photophysical properties
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              860
_journal_paper_doi               10.1039/C7NJ03654J
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C28 H0 N4'
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2017-05-11 deposited with the CCDC.
2017-11-29 downloaded from the CCDC.
;
_cell_angle_alpha                95.021(3)
_cell_angle_beta                 95.805(2)
_cell_angle_gamma                91.637(2)
_cell_formula_units_Z            2
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_cell_length_b                   8.9699(4)
_cell_length_c                   16.5075(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1077.43(8)
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.979
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_av_unetI/netI     0.0407
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.979
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_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.110
_diffrn_reflns_theta_min         1.245
_exptl_absorpt_coefficient_mu    0.074
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_F_000             392
_refine_diff_density_max         0.334
_refine_diff_density_min         -0.226
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4661
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.1060
_refine_ls_R_factor_gt           0.0545
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0993P)^2^+0.2385P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1492
_refine_ls_wR_factor_ref         0.1918
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2712
_reflns_number_total             4661
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7nj03654j2.cif
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_cod_depositor_comments
'Adding full bibliography for 7056766--7056767.cif.'
_cod_database_code               7056767
_shelxl_version_number           2014/6
_shelx_res_checksum              2048