Modulation of the power conversion efficiency of organic solar cells via architectural variation of a promising non-fullerene acceptor
Mishra, Ruchika; Regar, Ramprasad; Singh, Varun; Panini, Piyush; Singhal, Rahul; Keshtov, M. L.; Sharma, Ganesh D.; Sankar, Jeyaraman; Journal of Materials Chemistry A 6 (2018) 574–; doi:10.1039/C7TA08533H

data_7236659
_publ_section_title
;
 Modulation of the power conversion efficiency of organic solar cells via
 architectural variation of a promising non-fullerene acceptor
;
_journal_issue                   2
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              574
_journal_paper_doi               10.1039/C7TA08533H
_journal_volume                  6
_journal_year                    2018
_chemical_formula_moiety         'C46 H34 N2 O4 S2'
_chemical_formula_sum            'C46 H34 N2 O4 S2'
_chemical_formula_weight         742.87
_space_group_crystal_system      triclinic
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-08-21 deposited with the CCDC.
2017-12-04 downloaded from the CCDC.
;
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_cell_volume                     854.98(18)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
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_diffrn_reflns_av_R_equivalents  0.0628
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_min       -8
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_diffrn_reflns_theta_full        24.990
_diffrn_reflns_theta_max         24.990
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_exptl_absorpt_coefficient_mu    0.209
_exptl_absorpt_correction_T_max  0.923
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
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_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0662P)^2^+0.8308P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2047
_reflns_number_total             3020
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7ta08533h2.cif
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_cod_original_cell_volume        854.99(18)
_cod_database_code               7236659
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.934
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_shelx_res_checksum              12713