Structural elaboration of the surprising ortho-zincation of benzyl methyl ether.
Balloch, Liam; Kennedy, Alan R; Klett, Jan; Mulvey, Robert E; O'Hara, Charles T; Chemical communications (Cambridge, England) 46 (2010) 2319–2321; doi:10.1039/b924791b

data_7105362
_publ_section_title
;
 Structural elaboration of the surprising ortho-zincation of benzyl
 methyl ether.
;
_journal_issue                   13
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2319
_journal_page_last               2321
_journal_paper_doi               10.1039/b924791b
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C27 H52 N3 Na O Zn'
_chemical_formula_weight         523.08
_chemical_name_systematic
;
?
;
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_symmetry_cell_setting           monoclinic
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_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 114.39(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.236(2)
_cell_length_b                   16.527(2)
_cell_length_c                   10.6095(19)
_cell_measurement_reflns_used    1416
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      30.8334
_cell_measurement_theta_min      2.7114
_cell_volume                     1474.9(6)
_computing_cell_refinement       'CrysAlis CCD'
_computing_data_collection       'CrysAlis CCD'
_computing_data_reduction        'CrysAlis RED'
_computing_molecular_graphics    'shelxp / ortep'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.901
_diffrn_measurement_device_type  'OXFORD DIFFRACTION GEMINI S'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             568
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.052(7)
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         7511
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_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.0370
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_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^)+(0.0352P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0646
_refine_ls_wR_factor_ref         0.0658
_reflns_number_gt                6567
_reflns_number_total             7511
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b924791b.txt
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_cod_original_sg_symbol_H-M      P2(1)
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