A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization
Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King; Nature Chemistry 6 (2014) 774–778; doi:10.1038/nchem.2008

data_1551481
_publ_section_title
;
 A nanoporous two-dimensional polymer by single-crystal-to-single-crystal
 photopolymerization
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              774
_journal_page_last               778
_journal_paper_doi               10.1038/nchem.2008
_journal_volume                  6
_journal_year                    2014
_chemical_formula_sum            'C88 H28 F24'
_chemical_formula_weight         1541.10
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                70.106(2)
_cell_angle_beta                 75.162(3)
_cell_angle_gamma                84.727(3)
_cell_formula_units_Z            2
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_cell_length_b                   17.662(3)
_cell_length_c                   18.188(3)
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_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      30.11
_cell_measurement_theta_min      2.35
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_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0912
_diffrn_reflns_Laue_measured_fraction_full 0.972
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_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.998
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_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.421
_exptl_absorpt_coefficient_mu    0.109
_exptl_absorpt_correction_T_max  0.979
_exptl_absorpt_correction_T_min  0.968
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
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_refine_diff_density_min         -0.339
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         14602
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.1675
_refine_ls_R_factor_gt           0.0929
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; 
 w=1/[\s^2^(Fo^2^)+(0.1500P)^2^] 
 where P=(Fo^2^+2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2547
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_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6429
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           poly223-sr
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