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_7231831
_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         'C18 H14 B F2 N O2 '
_chemical_formula_sum            'C18 H14 B F2 N O2'
_chemical_formula_weight         325.12
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 99.364(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.7350(3)
_cell_length_b                   17.5816(7)
_cell_length_c                   11.0299(4)
_cell_measurement_reflns_used    3475
_cell_measurement_temperature    174.1
_cell_measurement_theta_max      71.4
_cell_measurement_theta_min      6.5
_cell_volume                     1480.01(10)
_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 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.039
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17052
_diffrn_reflns_theta_full        71.62
_diffrn_reflns_theta_max         71.62
_exptl_absorpt_coefficient_mu    0.933
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_correction_T_min  0.710
_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    1.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             672.00
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.17
_refine_diff_density_max         4.22
_refine_diff_density_min         -4.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   6.953
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     231
_refine_ls_number_reflns         8564
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0665
_reflns_number_gt                8513
_reflns_number_total             2855
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c8ra08241c2.cif
_cod_data_source_block           '_119849_4'
_cod_original_formula_sum        'C18 H14 B F2 N O2 '
_cod_database_code               7231831