Two new compounds by reaction of taurolidine with methylene glycol
Kennedy, Alan R.; Skellern, Graham G.; Pfirrmann, Rolf W.; Smail, Gordon A.; Shankland, Norman; Florence, Alastair J.; Acta Crystallographica Section C 55 (1999) 232–234; doi:10.1107/S0108270198008415

data_2008126
_publ_section_title
;
 Two new compounds by reaction of taurolidine with methylene glycol
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              232
_journal_page_last               234
_journal_paper_doi               10.1107/S0108270198008415
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'C12 H24 N6 O6 S3'
_chemical_formula_sum            'C12 H24 N6 O6 S3'
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_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_cell_angle_beta                 101.642(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.5300(10)
_cell_length_b                   8.0567(8)
_cell_length_c                   15.928(2)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    295
_cell_measurement_theta_max      16.5
_cell_measurement_theta_min      10.6
_cell_volume                     1826.2(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1985)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1993)'
_computing_publication_material  TEXSAN
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_computing_structure_solution    'SIR (Burla et al., 1989)'
_diffrn_ambient_temperature      295
_diffrn_measurement_device       'Rigaku AFC-7S'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
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_diffrn_standards_interval_count 150
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_exptl_absorpt_coefficient_mu    0.451
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.40
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_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    refU
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
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_refine_ls_wR_factor_obs         0.054
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_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            bm1255.cif
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_cod_original_cell_volume        1826.3(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2008126