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_4022000
_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         'C92 H118 O8 '
_chemical_formula_sum            'C92 H118 O8'
_chemical_formula_weight         1351.94
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2004-09-29
_audit_creation_method           'by CrystalStructure v3.5.1'
_cell_angle_alpha                91.39(5)
_cell_angle_beta                 100.87(4)
_cell_angle_gamma                104.53(4)
_cell_formula_units_Z            2
_cell_length_a                   20.070(9)
_cell_length_b                   20.84(1)
_cell_length_c                   10.101(6)
_cell_measurement_reflns_used    9
_cell_measurement_temperature    300.1
_cell_measurement_theta_max      24.6
_cell_measurement_theta_min      22.6
_cell_volume                     4004(3)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9912
_diffrn_measured_fraction_theta_max 0.9912
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.165
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            38442
_diffrn_reflns_theta_full        68.13
_diffrn_reflns_theta_max         68.13
_diffrn_standards_decay_%        -10.47
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.539
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.121
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1468.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.39
_refine_ls_extinction_coef       20(1)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   4.693
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     518
_refine_ls_number_reflns         2600
_refine_ls_R_factor_gt           0.1110
_refine_ls_shift/su_max          0.0060
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0810
_reflns_number_gt                2600
_reflns_number_total             14489
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo060923ysi20060504_013627.cif
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C92 H118 O8 '
_cod_database_code               4022000