<i>N,N</i>'-Bis(2-methoxyethyl)pyromellitimide
Bernadette Suchod; Jean-Pierre Curtet; David Djurado; Michel Armand; Acta Crystallographica Section C 55 (1999) 445–446; doi:10.1107/S0108270198013997

data_2008293
_publ_section_title
;
 <i>N,N</i>'-Bis(2-methoxyethyl)pyromellitimide
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              445
_journal_page_last               446
_journal_paper_doi               10.1107/S0108270198013997
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'C16 H16 N2 O6'
_chemical_formula_weight         332.3
_chemical_melting_point          448
_chemical_name_common            'N N'-bis(2-methoxyethyl)pyromellitimide'
_chemical_name_systematic
'2,6-bis(3oxabutyl)pyrrolo[3,4f]isoindole-1,3,5,7 tetraone'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_cell_angle_alpha                90.000(9)
_cell_angle_beta                 105.150(10)
_cell_angle_gamma                90.000(9)
_cell_formula_units_Z            4
_cell_length_a                   7.8620(8)
_cell_length_b                   19.526(2)
_cell_length_c                   10.4690(10)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293
_cell_measurement_theta_max      12
_cell_measurement_theta_min      10
_cell_volume                     1551.3(3)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius (1989)'
_computing_data_reduction        'xtal_SORTRF_ADDREF (Hall et al. (1992)'
_computing_molecular_graphics    xtal_ORTEP
_computing_publication_material  xtal_BONDLA_CIFIO
_computing_structure_refinement  xtal_CRYLSQ
_computing_structure_solution    xtal_GENTAN
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Nonius CAD4'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .012
_diffrn_reflns_av_sigmaI/netI    .012
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4965
_diffrn_reflns_reduction_process perpendicular_monochr_Lp
_diffrn_reflns_theta_max         29.96
_diffrn_reflns_theta_min         2.09
_diffrn_standards_decay_%        0.5
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.11
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            translucent-pale-white
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_density_meas      ?
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             695.89
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         .279
_refine_diff_density_min         -.167
_refine_ls_extinction_coef       .26(2)
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   1.345
_refine_ls_goodness_of_fit_ref   1.526
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     282
_refine_ls_number_reflns         2967
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .072
_refine_ls_R_factor_obs          .044
_refine_ls_shift/esd_max         0.0
_refine_ls_shift/esd_mean        0.0
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.1F]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .04
_refine_ls_wR_factor_obs         .036
_reflns_number_observed          2981
_reflns_number_total             4504
_reflns_observed_criterion       refl_observed_if_Inet_>2.000_sigma(Inet)
_cod_data_source_file            sk1219.cif
_cod_data_source_block           pmt
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '448K' was changed to '448' - the
value should be numeric and without a unit designator.

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

The following automatic conversions were performed:

'_chemical_melting_point' value '448K' was changed to '448' - the
value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        C16H16N2O6
_cod_database_code               2008293