Pushing the limits of steric demand around a biaryl axis: Synthesis of tetra-ortho-substituted biaryl naphthalenes
Adam Glass; Sam Klonoski; Lev Zakharov; Shih-Yuan Liu; Chem.Commun. 47 (2011) 286–; doi:10.1039/c0cc02170a

data_7105769
_publ_section_title
;
 Pushing the limits of steric demand around a biaryl axis: Synthesis of
 tetra-ortho-substituted biaryl naphthalenes
;
_journal_name_full               Chem.Commun.
_journal_page_first              286
_journal_paper_doi               10.1039/c0cc02170a
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C28 H36'
_chemical_formula_weight         372.57
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_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXLTL
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_cell_angle_beta                 95.118(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
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_cell_length_b                   9.649(2)
_cell_length_c                   29.806(7)
_cell_measurement_reflns_used    2827
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_cell_measurement_theta_min      2.31
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_computing_cell_refinement       'Bruker SAINT'
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_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Apex CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_limit_h_min       -18
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_diffrn_reflns_limit_k_min       -11
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_diffrn_reflns_limit_l_min       -34
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_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    0.059
_exptl_absorpt_correction_T_max  0.9988
_exptl_absorpt_correction_T_min  0.9739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.060
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_refine_ls_R_factor_gt           0.0687
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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^)+(0.1008P)^2^+1.4422P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1617
_refine_ls_wR_factor_ref         0.2024
_reflns_number_gt                4608
_reflns_number_total             7311
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC02170A.TXT
_cod_data_source_block           liu66
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4668(2)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7105769