Bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
Qin Zhou; Wen-Yuan Wu; Xu-Sheng Gao; Cheng Yao; Jin-Tang Wang; Acta Crystallographica Section E 62 (2006) o4778–o4779; doi:10.1107/S1600536806039158

data_2211050
_publ_section_title
;
 Bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
;
_journal_coeditor_code           HK2127
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4778
_journal_page_last               o4779
_journal_paper_doi               10.1107/S1600536806039158
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C28 H52 N2 O4'
_chemical_formula_moiety         'C28 H52 N2 O4'
_chemical_formula_sum            'C28 H52 N2 O4'
_chemical_formula_weight         480.72
_chemical_name_systematic
;
Bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.26(3)
_cell_angle_beta                 98.66(3)
_cell_angle_gamma                112.91(3)
_cell_formula_units_Z            1
_cell_length_a                   6.5450(13)
_cell_length_b                   8.1450(16)
_cell_length_c                   15.863(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      10
_cell_volume                     754.0(3)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf--Nonius, 1985)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_theta_full        25.98
_diffrn_reflns_theta_max         25.98
_diffrn_reflns_theta_min         1.33
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.069
_exptl_absorpt_correction_T_max  0.9981
_exptl_absorpt_correction_T_min  0.9718
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.054
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             266.0
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.181
_refine_diff_density_min         -0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.408
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         2944
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.438
_refine_ls_R_factor_all          0.1415
_refine_ls_R_factor_gt           0.0970
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0292P)^2^+0.5292P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2332
_refine_ls_wR_factor_ref         0.2445
_reflns_number_gt                1578
_reflns_number_total             2944
_reflns_threshold_expression     I>2/s(I)
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