Reverse orders of reactivities in the polymerization of cyclic esters using N(2)O(2) aluminium alkoxide complexes.
Phomphrai, Khamphee; Chumsaeng, Phongnarin; Sangtrirutnugul, Preeyanuch; Kongsaeree, Palangpon; Pohmakotr, Manat; Dalton transactions (Cambridge, England : 2003) 39 (2010) 1865–1871; doi:10.1039/b919340e

data_7024624
_publ_section_title
;
 Reverse orders of reactivities in the polymerization of cyclic esters
 using N(2)O(2) aluminium alkoxide complexes.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1865
_journal_page_last               1871
_journal_paper_doi               10.1039/b919340e
_journal_volume                  39
_journal_year                    2010
_chemical_compound_source        Synthesis
_chemical_formula_moiety         'C33 H53 Al N2 O3, 0.5(C2 Cl4)'
_chemical_formula_sum            'C34 H53 Al Cl2 N2 O3'
_chemical_formula_weight         635.66
_chemical_name_systematic
;
?
;
_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'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 123.2380(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4551(3)
_cell_length_b                   20.8154(5)
_cell_length_c                   17.6672(5)
_cell_measurement_reflns_used    13123
_cell_measurement_temperature    123
_cell_measurement_theta_max      29.131
_cell_measurement_theta_min      0.407
_cell_volume                     3523.43(17)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       KappaCCD
_computing_data_reduction
'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
'SIR97(Cascarano al.,Acta Cryst.,1996,A52,C-79)'
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device       KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       X=UH
_diffrn_orient_matrix_UB_11      0.01959
_diffrn_orient_matrix_UB_12      -0.07460
_diffrn_orient_matrix_UB_13      0.04221
_diffrn_orient_matrix_UB_21      -0.00111
_diffrn_orient_matrix_UB_22      -0.02387
_diffrn_orient_matrix_UB_23      -0.04168
_diffrn_orient_matrix_UB_31      0.06728
_diffrn_orient_matrix_UB_32      0.00540
_diffrn_orient_matrix_UB_33      -0.00489
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           ' MoK\a'
_diffrn_radiation_wavelength_id  all
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            45950
_diffrn_reflns_theta_full        28.70
_diffrn_reflns_theta_max         28.70
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.244
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1368.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.878
_refine_diff_density_min         -0.882
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         8903
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0757
_refine_ls_R_factor_gt           0.0644
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0648P)^2^+3.3516P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1543
_refine_ls_wR_factor_ref         0.1619
_reflns_number_gt                7658
_reflns_number_total             8903
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b919340e.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3523.4(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7024624