Manipulating open-circuit voltage in an organic photovoltaic device via a phenylalkyl side chain
Swee Ling Lam; Xiaoqian Liu; Fangli Zhao; Chi-Lik Ken Lee; Wei Lek Kwan; Chem.Commun. 49 (2013) 4543–; doi:10.1039/c3cc40403j

data_7109249
_publ_section_title
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 Manipulating open-circuit voltage in an organic photovoltaic device via a
 phenylalkyl side chain
;
_journal_name_full               Chem.Commun.
_journal_page_first              4543
_journal_paper_doi               10.1039/c3cc40403j
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C46 H44 N6 O2'
_chemical_formula_weight         712.87
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 74.534(5)
_cell_angle_gamma                80.977(5)
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_cell_length_a                   10.136(2)
_cell_length_b                   10.200(2)
_cell_length_c                   10.494(2)
_cell_measurement_reflns_used    802
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.24
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_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
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_diffrn_radiation_monochromator  graphite
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_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2008)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0745P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            c3cc40403j.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        915.9(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7109249