Permanently porous hydrogen-bonded frameworks of rod-like thiophenes, selenophenes, and tellurophenes capped with MIDA boronates.
Li, Peng-Fei; Qian, Chenxi; Lough, Alan J.; Ozin, Geoffrey A.; Seferos, Dwight S.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 9754–9757; doi:10.1039/c5dt04960a

data_7037856
_publ_section_title
;
 Permanently porous hydrogen-bonded frameworks of rod-like thiophenes,
 selenophenes, and tellurophenes capped with MIDA boronates.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9754
_journal_page_last               9757
_journal_paper_doi               10.1039/c5dt04960a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C38 H54 N2 O4'
_chemical_formula_sum            'C38 H54 N2 O4'
_chemical_formula_weight         602.83
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/cc1jqlmg
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-09-01 deposited with the CCDC.
2015-12-23 downloaded from the CCDC.
;
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_cell_angle_gamma                104.495(2)
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_cell_length_b                   6.6073(2)
_cell_length_c                   27.9285(9)
_cell_measurement_reflns_used    9910
_cell_measurement_temperature    147(2)
_cell_measurement_theta_max      66.80
_cell_measurement_theta_min      3.18
_cell_volume                     823.12(5)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2007)'
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_computing_structure_solution    'SHELXT (Sheldrick, 2008)'
_diffrn_ambient_temperature      147(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker Kappa APEX-DUO CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0510
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_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            29125
_diffrn_reflns_point_group_measured_fraction_full 0.980
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_diffrn_source                   'Bruker ImuS with multi-layer optics'
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_exptl_crystal_colour            yellow
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0535
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0451P)^2^+0.4910P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1251
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_reflns_number_gt                2448
_reflns_number_total             2915
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt04960a2.cif
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_cod_depositor_comments
'Adding full bibliography for 7037855--7037858.cif.'
_cod_database_code               7037856
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