Synthesis of chiral organotin hydrides containing menthyl and oxazoline substituents†
Dakternieks, Dainis; Dunn, Kerri; Schiesser, Carl H.; Tiekink, Edward R. T.; Journal of the Chemical Society, Dalton Transactions  (2000) 3693–; doi:10.1039/b004259p

data_7009897
_publ_section_title
;
 Synthesis of chiral organotin hydrides containing menthyl and
 oxazoline substituents&#x2020;
;
_journal_issue                   20
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3693
_journal_paper_doi               10.1039/b004259p
_journal_year                    2000
_chemical_formula_moiety         'C32 H52 Cl N O Sn '
_chemical_formula_sum            'C32 H52 Cl N O Sn'
_chemical_formula_weight         620.91
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.961(6)
_cell_length_b                   11.809(8)
_cell_length_c                   10.087(6)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    173
_cell_measurement_theta_max      7.6
_cell_measurement_theta_min      5.0
_cell_volume                     3331(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan for Windows (MSC, 1997)'
_computing_publication_material  'teXsan for Windows (MSC, 1997)'
_computing_structure_refinement  'teXsan for Windows (MSC, 1997)'
_computing_structure_solution
;
'DIRDIF92 PATTY (Beurskens, 1992)
;
_diffrn_ambient_temperature      173
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.00418
_diffrn_orient_matrix_UB_12      -0.08313
_diffrn_orient_matrix_UB_13      0.01469
_diffrn_orient_matrix_UB_21      -0.01605
_diffrn_orient_matrix_UB_22      -0.01566
_diffrn_orient_matrix_UB_23      -0.08657
_diffrn_orient_matrix_UB_31      0.03169
_diffrn_orient_matrix_UB_32      0.00307
_diffrn_orient_matrix_UB_33      -0.04601
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_av_sigmaI/netI    0.060
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4314
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         3.03
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.869
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.757
_exptl_absorpt_correction_type
;
\DF (DIFABS; Walker & Stuart, 1983)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_density_meas      ?
_exptl_crystal_description       'fragment cut from larger block'
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.70
_refine_diff_density_min         -0.66
_refine_ls_abs_structure_details
'assigned from chemistry - confirmed by refinement'
_refine_ls_extinction_coef       0.00000017(3)
_refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_ref   2.700
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     326
_refine_ls_number_reflns         3018
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.0100
_refine_ls_shift/su_mean         0.0008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00002|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0490
_reflns_number_gt                3018
_reflns_number_total             4314
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            b004259p.txt
_cod_data_source_block           '_Men2LSnCl'
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C32 H52 Cl N O Sn '
_cod_database_code               7009897