A four-armed Schiff base: 6,6',6'',6'''-tetramethoxy-2,2',2'',2'''-[methanetetrayltetrakis(methylenenitrilomethylidyne)]tetraphenol
Jiang, Guang-Qi; Cai, Jie; Zhang, Yun-Qian; Zhang, Qian-Jun; Acta Crystallographica Section E 64 (2008) o1455–; doi:10.1107/S1600536808020618

data_2219126
_publ_section_title
;A four-armed Schiff base:
 6,6',6'',6'''-tetramethoxy-2,2',2'',2'''-[methanetetrayltetrakis(methylenenitrilomethylidyne)]tetraphenol
;
_journal_coeditor_code           OM2247
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1455
_journal_paper_doi               10.1107/S1600536808020618
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'C37 H40 N4 O8'
_chemical_formula_moiety         'C37 H40 N4 O8'
_chemical_formula_sum            'C37 H40 N4 O8'
_chemical_formula_weight         668.73
_chemical_name_systematic
;
6,6',6'',6'''-tetramethoxy-2,2',2'',2'''-
[methanetetrayltetrakis(methylenenitrilomethylidyne)]tetraphenol
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                75.861(7)
_cell_angle_beta                 88.893(7)
_cell_angle_gamma                78.385(7)
_cell_formula_units_Z            2
_cell_length_a                   11.3464(11)
_cell_length_b                   12.4437(12)
_cell_length_c                   13.0523(14)
_cell_measurement_reflns_used    16510
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.10
_cell_measurement_theta_min      0.996
_cell_volume                     1749.6(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_av_sigmaI/netI    0.0838
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            16510
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.72
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.090
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.984
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.184
_refine_diff_density_min         -0.186
_refine_ls_extinction_coef       0.0093(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         6194
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.938
_refine_ls_R_factor_all          0.1182
_refine_ls_R_factor_gt           0.0536
_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^)+(0.0583P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1200
_refine_ls_wR_factor_ref         0.1451
_reflns_number_gt                3077
_reflns_number_total             6221
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om2247.cif
_cod_data_source_block           I
_cod_database_code               2219126
_cod_database_fobs_code          2219126