Stepwise cyanation of naphthalene diimide for n-channel field-effect transistors.
Chang, Jingjing; Ye, Qun; Huang, Kuo-Wei; Zhang, Jie; Chen, Zhi-Kuan; Wu, Jishan; Chi, Chunyan; Organic letters 14 (2012) 2964–2967; doi:10.1021/ol300914k

data_1507811
_publ_section_title
;
 Stepwise cyanation of naphthalene diimide for n-channel field-effect
 transistors.
;
_journal_issue                   12
_journal_name_full               'Organic letters'
_journal_page_first              2964
_journal_page_last               2967
_journal_paper_doi               10.1021/ol300914k
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C54 H62 Cl6 N4 O4 S2'
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_cell_length_b                   14.260(3)
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_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_exptl_absorpt_coefficient_mu    0.436
_exptl_absorpt_correction_T_max  0.9577
_exptl_absorpt_correction_T_min  0.7800
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            Dark_Purple
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_density_meas      ?
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0542P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1276
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_cod_data_source_file            ol300914k_si_002.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

 Adding full bibliography for 1507811.cif.

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_sg_symbol_H-M      P-1
_cod_database_code               1507811