A salen-Al/carbazole dyad-based guest-host assembly: enhancement of luminescence efficiency via intramolecular energy transfer.
Kwak, Sang Woo; Jin, Hyomin; Shin, Heuiseok; Lee, Ji Hye; Hwang, Hyonseok; Lee, Junseong; Kim, Min; Chung, Yongseog; Kim, Youngjo; Lee, Kang Mun; Park, Myung Hwan; Chemical communications (Cambridge, England) 54 (2018) 4712–4715; doi:10.1039/c8cc01528g

data_7121488
_publ_section_title
;
 A salen-Al/carbazole dyad-based guest-host assembly: enhancement of
 luminescence efficiency via intramolecular energy transfer.
;
_journal_issue                   37
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4712
_journal_page_last               4715
_journal_paper_doi               10.1039/c8cc01528g
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         C50H58AlN3O3
_chemical_formula_sum            'C50 H58 Al N3 O3'
_chemical_formula_weight         775.97
_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_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc1z1thb
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2018-01-24 deposited with the CCDC.
2018-04-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.0014(17)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9221(3)
_cell_length_b                   22.0031(6)
_cell_length_c                   20.2879(5)
_cell_measurement_reflns_used    49274
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.395
_cell_measurement_theta_min      1.851
_cell_volume                     4347.8(2)
_computing_cell_refinement       'Bruker D8 QUEST'
_computing_data_collection       'Bruker D8 QUEST'
_computing_data_reduction        'Bruker D8 QUEST'
_computing_molecular_graphics    'SHELXL-2014 (Sheldrick, 2014)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2016
_diffrn_reflns_av_unetI/netI     0.1878
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            49274
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.395
_diffrn_reflns_theta_min         1.851
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.092
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_description       platy
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.266
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     526
_refine_ls_number_reflns         7953
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.2030
_refine_ls_R_factor_gt           0.0864
_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^)+(0.1022P)^2^+0.1895P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1791
_refine_ls_wR_factor_ref         0.2320
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3710
_reflns_number_total             7953
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc01528g2.cif
_cod_data_source_block           D2
_cod_depositor_comments          'Adding full bibliography for 7121488.cif.'
_cod_database_code               7121488
_shelxl_version_number           2014-3
_shelx_res_checksum              11181
_shelx_hkl_checksum              18578