Tetradehydrodinaphtho[10]annulene: a hitherto unknown dehydroannulene and a viable precursor to stable zethrene derivatives.
Umeda, Rui; Hibi, Daijiro; Miki, Koji; Tobe, Yoshito; Organic letters 11 (2009) 4104–4106; doi:10.1021/ol9015942

data_1504126
_publ_section_title
;
 Tetradehydrodinaphtho[10]annulene: a hitherto unknown dehydroannulene and
 a viable precursor to stable zethrene derivatives.
;
_journal_issue                   18
_journal_name_full               'Organic letters'
_journal_page_first              4104
_journal_page_last               4106
_journal_paper_doi               10.1021/ol9015942
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C24 H12 '
_chemical_formula_sum            'C24 H12'
_chemical_formula_weight         300.36
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 125.953(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   19.932(9)
_cell_length_b                   11.060(5)
_cell_length_c                   15.993(7)
_cell_measurement_reflns_used    1929
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2854(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.055
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9010
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.782
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1248.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.59
_refine_diff_density_min         -0.58
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     218
_refine_ls_number_reflns         3045
_refine_ls_R_factor_gt           0.0760
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2535
_reflns_number_gt                1306
_reflns_number_total             3045
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol9015942_si_001.cif
_cod_data_source_block           '__DN10A'
_cod_original_formula_sum        'C24 H12 '
_cod_database_code               1504126