Novel solid-state polycondensation I. Oxidative-coupling polymerization of 2,6-dihydroxynaphthaleneElectric supplementary information (ESI) available: experimental procedures, 1H, 13C NMR and IR spectra of the acetylated polymer, crystal data of 2,6-DHN–benzylamine complex, and 3D graphics of the polymer models and of the crystal cells (2,6-DHN and its benzylamine complex). See http://www.rsc.org/suppdata/cc/b1/b107738d/
Suzuki, Masato; Yatsugi, Yutaka; Chemical Communications  (2002) 162–; doi:10.1039/b107738d

data_7114084
_publ_section_title
;
 Novel solid-state polycondensation I. Oxidative-coupling polymerization
 of 2,6-dihydroxynaphthaleneElectric supplementary information (ESI)
 available: experimental procedures, 1H, 13C NMR and IR spectra of the
 acetylated polymer, crystal data of 2,6-DHN--benzylamine complex, and 3D
 graphics of the polymer models and of the crystal cells (2,6-DHN and its
 benzylamine complex). See http://www.rsc.org/suppdata/cc/b1/b107738d/
;
_journal_issue                   2
_journal_name_full               'Chemical Communications'
_journal_page_first              162
_journal_paper_doi               10.1039/b107738d
_journal_year                    2002
_chemical_formula_sum            'C24 H26 N2 O2'
_chemical_formula_weight         374.47
_chemical_name_systematic
; 
2,6-Dihydroxynaphthalene-Benzylamine 1:2 Complex 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.118(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.6490(6)
_cell_length_b                   13.7087(17)
_cell_length_c                   9.7362(13)
_cell_measurement_temperature    173(2)
_cell_volume                     980.79(19)
_computing_cell_refinement       'RAPID SCALE'
_computing_data_collection       'RAPID AUTO'
_computing_data_reduction        'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku UX-18 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_av_sigmaI/netI    0.0230
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8037
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_T_max  0.9936
_exptl_absorpt_correction_T_min  0.9723
_exptl_absorpt_correction_type   multi-run
_exptl_absorpt_process_details   abscor
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prizm
_exptl_crystal_F_000             400
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.376
_refine_diff_density_min         -0.191
_refine_diff_density_rms         0.040
_refine_ls_extinction_coef       0.037(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     167
_refine_ls_number_reflns         2232
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0511P)^2^+0.4460P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1195
_refine_ls_wR_factor_ref         0.1254
_reflns_number_gt                1933
_reflns_number_total             2232
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b107738d.txt
_cod_data_source_block           shelxl
_cod_original_sg_symbol_H-M      P21/a
_cod_database_code               7114084