Synthesis and fluorescent properties of boroisoquinolines, a new family of fluorophores
Sóvári, Dénes; Kormos, Attila; Demeter, Orsolya; Dancsó, András; Keserű, György Miklós; Milen, Mátyás; Ábrányi-Balogh, Péter; RSC Advances 8 (2018) 38598–; doi:10.1039/C8RA08241C

data_7231832
_publ_section_title
;
 Synthesis and fluorescent properties of boroisoquinolines, a new family
 of fluorophores
;
_journal_issue                   67
_journal_name_full               'RSC Advances'
_journal_page_first              38598
_journal_paper_doi               10.1039/C8RA08241C
_journal_volume                  8
_journal_year                    2018
_chemical_formula_moiety         'C17 H16 B F2 N O3 S '
_chemical_formula_sum            'C17 H16 B F2 N O3 S'
_chemical_formula_weight         363.19
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_update_record
;
2018-07-09 deposited with the CCDC.
2018-11-09 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 93.697(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.1184(6)
_cell_length_b                   8.1766(4)
_cell_length_c                   16.5924(9)
_cell_measurement_reflns_used    3677
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      71.2
_cell_measurement_theta_min      6.5
_cell_volume                     1640.67(14)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.086
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18565
_diffrn_reflns_theta_full        71.64
_diffrn_reflns_theta_max         71.64
_exptl_absorpt_coefficient_mu    2.105
_exptl_absorpt_correction_T_max  0.637
_exptl_absorpt_correction_T_min  0.457
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Chunk
_exptl_crystal_F_000             752.00
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.21
_refine_diff_density_max         9.94
_refine_diff_density_min         -20.10
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   3.595
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     230
_refine_ls_number_reflns         8999
_refine_ls_R_factor_gt           0.1597
_refine_ls_shift/su_max          0.1007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.1982
_reflns_number_gt                8927
_reflns_number_total             3134
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c8ra08241c2.cif
_cod_data_source_block           '_120462_1'
_cod_original_cell_volume        1640.68(14)
_cod_original_formula_sum        'C17 H16 B F2 N O3 S '
_cod_database_code               7231832