The Total Synthesis of (-)-Lemonomycin
Eric R. Ashley; Ernest G. Cruz; Brian M. Stoltz; Journal of the American Chemical Society 125 (2003) 15000–15001; doi:10.1021/ja039223q

data_4114473
_publ_section_title
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 The Total Synthesis of (-)-Lemonomycin
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_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15000
_journal_page_last               15001
_journal_paper_doi               10.1021/ja039223q
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C41 H44 N3 O13 S2'
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_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_length_b                   13.420(2)
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_cell_measurement_theta_min      2.31
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_computing_cell_refinement       'Bruker SAINT v6.022'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.885
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_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       '\w scans at 3 \f settings'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_min         1.56
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/s^2^(Fo^2^)
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.1704
_reflns_number_gt                4683
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_cod_data_source_block           era04
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'direct methods' was changed to
'direct'.

'_atom_sites_solution_secondary' value 'Difference Fourier map' was
changed to 'difmap'.

'_atom_sites_solution_hydrogens' value 'Geometric positions' was
changed to 'geom'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        2028.1(6)
_cod_database_code               4114473