A Concise and Unified Strategy for Synthesis of the C1-C18 Macrolactone Fragments of FD-891, FD-892 and Their Analogues: Formal Total Synthesis of FD-891.
Kanoh, Naoki; Kawamata, Ayano; Itagaki, Tomohiro; Miyazaki, Yuta; Yahata, Kenzo; Kwon, Eunsang; Iwabuchi, Yoshiharu; Organic letters 16 (2014) 5216–5219; doi:10.1021/ol502633j

data_1517814
_publ_section_title
;
 A Concise and Unified Strategy for Synthesis of the C1-C18 Macrolactone
 Fragments of FD-891, FD-892 and Their Analogues: Formal Total Synthesis
 of FD-891.
;
_journal_issue                   19
_journal_name_full               'Organic letters'
_journal_page_first              5216
_journal_page_last               5219
_journal_paper_doi               10.1021/ol502633j
_journal_volume                  16
_journal_year                    2014
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C36 H40 Br2 O6'
_chemical_formula_sum            'C36 H40 Br2 O6'
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_symmetry_space_group_name_Hall  'P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 97.00(2)
_cell_angle_gamma                107.58(4)
_cell_formula_units_Z            2
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_cell_length_b                   12.228(7)
_cell_length_c                   20.041(13)
_cell_measurement_reflns_used    4612
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.10
_cell_volume                     1728.1(19)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r15'
_computing_data_collection       'CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r15'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 6.827
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
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_diffrn_reflns_limit_k_min       -15
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_exptl_absorpt_coefficient_mu    2.395
_exptl_absorpt_correction_T_max  0.619
_exptl_absorpt_correction_T_min  0.502
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             748.00
_exptl_crystal_size_max          0.200
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'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  6826 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.046(10)
_refine_ls_extinction_coef       0.0010(4)
_refine_ls_extinction_method     SHELXL
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_refine_ls_number_reflns         14739
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0309P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1085
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_cod_data_source_file            ol502633j_si_002.cif
_cod_data_source_block           02
_cod_depositor_comments          'Adding full bibliography for 1517814.cif.'
_cod_original_cell_volume        1728.2(19)
_cod_database_code               1517814