Direct evidence of solvent polarity governing the intramolecular charge and energy transfer: ultrafast relaxation dynamics of push-pull fluorene derivatives.
Neelambra, Afeefah U.; Govind, Chinju; Devassia, Tessy T.; Somashekharappa, Guruprasad M.; Karunakaran, Venugopal; Physical chemistry chemical physics : PCCP 21 (2019) 11087–11102; doi:10.1039/c9cp00796b

data_7232668
_publ_section_title
;
 Direct evidence of solvent polarity governing the intramolecular charge
 and energy transfer: ultrafast relaxation dynamics of push-pull fluorene
 derivatives.
;
_journal_issue                   21
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              11087
_journal_page_last               11102
_journal_paper_doi               10.1039/c9cp00796b
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C28 H20 N2 O'
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_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_creation_method           SHELXL-2013
_audit_update_record
;
2018-09-04 deposited with the CCDC.    2019-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.972(17)
_cell_angle_gamma                90
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_cell_length_a                   10.097(7)
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_cell_length_c                   18.588(12)
_cell_measurement_temperature    566(2)
_cell_volume                     2121(2)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      566(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.947
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1215
_diffrn_reflns_av_unetI/netI     0.0939
_diffrn_reflns_Laue_measured_fraction_full 0.944
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_limit_h_max       13
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_diffrn_reflns_limit_k_max       14
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_diffrn_reflns_point_group_measured_fraction_full 0.944
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.460
_diffrn_reflns_theta_min         3.078
_exptl_absorpt_coefficient_mu    0.077
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_F_000             840
_refine_diff_density_max         0.219
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4586
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
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_refine_ls_R_factor_gt           0.0820
_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^)+(0.1212P)^2^+0.4947P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3625
_reflns_number_total             4586
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7232668.cif.'
_cod_database_code               7232668
_shelxl_version_number           2013-4
_shelx_res_checksum              7062