Phenyl substitution in tetracene: a promising strategy to boost charge mobility in thin film transistors
Xu, Wenjun; He, Yaowu; Murtaza, Imran; Zhang, Dongwei; Li, Aiyuan; Hu, Zhao; Zeng, Xingwei; Guo, Yitong; Zhu, Yanan; Liu, Ming; Meng, Hong; Journal of Materials Chemistry C 5 (2017) 2852–; doi:10.1039/C6TC04624J

data_7236448
_publ_section_title
;
 Phenyl substitution in tetracene: a promising strategy to boost charge
 mobility in thin film transistors
;
_journal_issue                   11
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              2852
_journal_paper_doi               10.1039/C6TC04624J
_journal_volume                  5
_journal_year                    2017
_chemical_formula_moiety         'C24 H16'
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_chemical_name_systematic
; 
 'C24 H16'
;
_space_group_IT_number           4
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_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
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_audit_update_record
;
2016-05-20 deposited with the CCDC.
2017-02-17 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.0402
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_cell_volume                     745.04(15)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_collection       'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.913
_diffrn_measured_fraction_theta_max 0.913
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            4292
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_exptl_absorpt_correction_T_max  1.00
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_exptl_crystal_colour            purple
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_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             320
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_R_factor_all          0.2486
_refine_ls_R_factor_gt           0.2288
_refine_ls_shift/su_max          0.310
_refine_ls_shift/su_mean         0.067
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.7500P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.6281
_refine_ls_wR_factor_ref         0.6542
_reflns_number_gt                1350
_reflns_number_total             1778
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6tc04624j2.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

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

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        745.03(15)
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7236448