Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes
Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno; Journal of Organic Chemistry 71 (2006) 7967–7977; doi:10.1021/jo060923y

data_4022001
_publ_section_title
;
 Homologation Method for Preparation of Substituted Pentacenes
 and Naphthacenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7967
_journal_page_last               7977
_journal_paper_doi               10.1021/jo060923y
_journal_volume                  71
_journal_year                    2006
_chemical_formula_moiety         'C24 H32 O4 Si2 '
_chemical_formula_sum            'C24 H32 O4 Si2'
_chemical_formula_weight         440.69
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             'Wed Dec 29 13:10:55 2004'
_audit_creation_method           'by teXsan'
_audit_update_record
;
2006-05-11 text and data added by Kiyohiko Nakajima
;
_cell_angle_alpha                90
_cell_angle_beta                 104.76(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.517(3)
_cell_length_b                   10.304(2)
_cell_length_c                   19.366(3)
_cell_measurement_reflns_used    18953
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2415.3(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measured_fraction_theta_full 0.9955
_diffrn_measured_fraction_theta_max 0.9955
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.011
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            23684
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.173
_exptl_absorpt_correction_T_max  0.959
_exptl_absorpt_correction_T_min  0.939
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.212
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.402
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     271
_refine_ls_number_reflns         4042
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00123|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0676
_reflns_number_gt                4042
_reflns_number_total             5511
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo060923ysi20060523_054300.cif
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C24 H32 O4 Si2 '
_cod_database_code               4022001