2,8-Dimethyl-5,11-dipropyl-1,4,5,6,7,10,11,12-octahydroimidazo[4,5-<i>h</i>]imidazo[4,5-<i>c</i>][1,6]diazecine Hexahydrate
Mendoza-Díaz, G.; Driessen, W. L.; Reedijk, J.; Acta Crystallographica Section C 52 (1996) 960–962; doi:10.1107/S0108270195011425

data_2004795
_publ_contact_author
;
     Dr. Guillermo Mendoza-D\'iaz
     Universidad de Guanajuato
     Facultad de Qu\'imica
     Noria Alta s/n
     36050, Guanajuato, Gto.
     MEXICO
;
_publ_section_title
;2,8-Dimethyl-5,11-dipropyl-1,4,5,6,7,10,11,12-octahydroimidazo[4,5-<i>h</i>]imidazo[4,5-<i>c</i>][1,6]diazecine
 Hexahydrate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              960
_journal_page_last               962
_journal_paper_doi               10.1107/S0108270195011425
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C18 H30 N6, 6H2 O1'
_chemical_formula_structural     'C18 H30 N6, 6H2 O1'
_chemical_formula_sum            'C18 H42 N6 O6'
_chemical_formula_weight         438.57
_chemical_name_systematic
;
  2,8-dimethyl-5,11-dipropyl-4,5,6,10,11,12-hexahydro-imidazo[4,5-h]-
imidazo[4,5-c][1,6]diazecine
;
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_cell_formula_units_Z            1
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_cell_length_b                   6.824(4)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      12
_cell_measurement_theta_min      10
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_computing_data_reduction
'Xtal ADDREF SORTREF (Hall, Flack & Stewart, 1992)'
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_refine_ls_R_factor_obs          .054
_refine_ls_shift/esd_max         .016
_refine_ls_shift/esd_mean        .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .065
_refine_ls_wR_factor_obs         .058
_reflns_number_observed          2357
_reflns_number_total             5404
_reflns_observed_criterion       refl_observed_if_Inet_>_2_sigma(Inet)
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