<i>N</i>,<i>N</i>,<i>N</i>'-Tris[(1<i>H</i>-indol-3-yl)methyl]ethane-1,2-diamine
Li, Yan-Jun; Wang, De-Ju; Acta Crystallographica Section E 69 (2013) o1678–; doi:10.1107/S1600536813028225

data_2238759
_publ_section_title
;
 <i>N</i>,<i>N</i>,<i>N</i>'-Tris[(1<i>H</i>-indol-3-yl)methyl]ethane-1,2-diamine
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1678
_journal_paper_doi               10.1107/S1600536813028225
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C29 H29 N5'
_chemical_formula_moiety         'C29 H29 N5'
_chemical_formula_sum            'C29 H29 N5'
_chemical_formula_weight         447.57
_chemical_name_systematic
;
<i>N</i>,<i>N</i>,<i>N</i>'-Tris[(1<i>H</i>-indol-3-yl)methyl]ethane-1,2-diamine
;
_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 106.512(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.769(3)
_cell_length_b                   10.832(2)
_cell_length_c                   16.910(3)
_cell_measurement_reflns_used    2164
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      20.20
_cell_measurement_theta_min      2.43
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_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -13
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_max         25.50
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_exptl_absorpt_correction_T_max  0.9926
_exptl_absorpt_correction_T_min  0.9882
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_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.16
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_refine_ls_R_factor_all          0.0810
_refine_ls_R_factor_gt           0.0436
_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^)+(0.0560P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_original_cell_volume        2418.2(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2238759