[2.2]paracyclophane/dehydroannulene hybrids: probing the aromaticity of the dehydro[14]annulene framework.
Hinrichs, Heino; Fischer, Axel K.; Jones, Peter G.; Hopf, Henning; Haley, Michael M.; Organic letters 7 (2005) 3793–3795; doi:10.1021/ol0514552

data_1506670
_publ_section_title
;
 [2.2]paracyclophane/dehydroannulene hybrids: probing the aromaticity of
 the dehydro[14]annulene framework.
;
_journal_issue                   17
_journal_name_full               'Organic letters'
_journal_page_first              3793
_journal_page_last               3795
_journal_paper_doi               10.1021/ol0514552
_journal_volume                  7
_journal_year                    2005
_chemical_formula_sum            'C40.75 H27 Cl0.5'
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_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                90.687(8)
_cell_angle_beta                 95.682(8)
_cell_angle_gamma                96.926(8)
_cell_formula_units_Z            4
_cell_length_a                   11.903(2)
_cell_length_b                   12.782(2)
_cell_length_c                   18.785(3)
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_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      30.4
_cell_measurement_theta_min      2.2
_cell_volume                     2822.4(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-97
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       14
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_diffrn_reflns_limit_l_min       -23
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_exptl_crystal_density_method    'not measured'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0812P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_cod_original_formula_sum        'C40.75 H27 Cl0.50'
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