Diethyl 6(<i>R</i>)-3-(4-chlorophenyl)-6-(tetra-<i>O</i>-acetyl-<small>D</small>-<i>arabino</i>-threitol-1-yl)-1,2,3,6-tetrahydro-1,2,3,4-tetrazine-1,2-dicarboxylate, C~26~H~33~ClN~4~O~12~
Diánez, M. J.; Estrada, M. D.; López-Castro, A.; Pérez-Garrido, S.; Acta Crystallographica Section C 50 (1994) 1972–1974; doi:10.1107/S0108270193013514

data_2010307
_publ_section_title
;Diethyl
 6(<i>R</i>)-3-(4-chlorophenyl)-6-(tetra-<i>O</i>-acetyl-<small>D</small>-<i>arabino</i>-threitol-1-yl)-1,2,3,6-tetrahydro-1,2,3,4-tetrazine-1,2-dicarboxylate,
 C~26~H~33~ClN~4~O~12~
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1972
_journal_page_last               1974
_journal_paper_doi               10.1107/S0108270193013514
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C26 H33 Cl N4 O12'
_chemical_formula_weight         629
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.673(2)
_cell_length_b                   28.300(2)
_cell_length_c                   8.314(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      15
_cell_measurement_theta_min      5
_cell_volume                     3217(2)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5199
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.177
_exptl_absorpt_correction_T_max  1.068
_exptl_absorpt_correction_T_min  0.664
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.29
_exptl_crystal_density_meas      1.30
_exptl_crystal_density_method    'flotation in ?'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.63
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.3
_refine_diff_density_min         -0.3
_refine_ls_goodness_of_fit_obs   2.22
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     388
_refine_ls_number_reflns         3471
_refine_ls_R_factor_obs          0.060
_refine_ls_shift/esd_max         0.007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.060
_reflns_number_observed          3471
_reflns_number_total             5199
_reflns_observed_criterion       I>=2\s(I)
_cod_data_source_file            li1072.cif
_cod_data_source_block           li1072_structure_1_of_1
_cod_original_cell_volume        3216(2)
_cod_original_formula_sum        'C26 H33 Cl1 N4 O12'
_cod_database_code               2010307