1,3,5-Triethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione, C~9~H~15~N~3~O~3~
Hornish, Michael J.; Watt, William; Acta Crystallographica Section C 50 (1994) 263–265; doi:10.1107/S0108270193008212

data_2009440
_publ_contact_author
;
    Watt, William
    Research Laboratories,
    The Upjohn Company,
    Kalamazoo,
    MI 49007
    USA
;
_publ_section_title
;
 1,3,5-Triethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione,
 C~9~H~15~N~3~O~3~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              263
_journal_page_last               265
_journal_paper_doi               10.1107/S0108270193008212
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C9 H15 N3 O3'
_chemical_formula_weight         213.24
_chemical_name_systematic
1,3,5-Triethylperhydro-1,3,5-triazine-2,4,6-trione
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
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_symmetry_space_group_name_H-M   'P 21 21 21'
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_cell_length_c                   16.8400(10)
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_cell_measurement_temperature    123
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_cell_measurement_theta_min      60
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_computing_data_reduction        'CRYM (Duchamp, 1984)'
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_computing_structure_solution    'MULTAN (Main et al., 1980)'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(F^2^)]'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            cd1063.cif
_cod_data_source_block           default
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Bij' was replaced with
'Bani' value 15 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w = 1/[\s^2^(F^2^)]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F^2^)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1078.00(10)
_cod_database_code               2009440