Hot-exciton harvesting via through-space single-molecule based white-light emission and optical waveguides
Barman, Debasish; Annadhasan, Mari; Chandrasekar, Rajadurai; Iyer, Parameswar Krishnan; Chemical Science  (2022) –; doi:10.1039/D2SC02172B

data_1567281
_publ_section_title
;
 Hot-exciton harvesting via through-space single-molecule based
 white-light emission and optical waveguides
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D2SC02172B
_journal_year                    2022
_chemical_formula_sum            'C35 H25 N3 O S2'
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_audit_update_record
;
2019-12-03 deposited with the CCDC.	2022-07-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      12.43
_cell_measurement_theta_min      3.28
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.5026
_diffrn_reflns_av_unetI/netI     0.2070
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       6
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_diffrn_reflns_limit_k_max       22
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        25.050
_diffrn_reflns_theta_max         25.050
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_exptl_absorpt_coefficient_mu    0.234
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4760
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_refine_ls_R_factor_all          0.2167
_refine_ls_R_factor_gt           0.0850
_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^)+0.0500P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             4760
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2sc02172b6.cif
_cod_data_source_block           BT2O3Cz
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1567281
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              42977