Syntheses of (+)-30-epi-, (-)-6-epi-, (±)-6,30-epi-13,14-Didehydroxyisogarcinol and (±)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective, Lewis Acid-Controlled Cyclizations.
Boyce, Jonathan H.; Eschenbrenner-Lux, Vincent; Porco, Jr, John A; Journal of the American Chemical Society 138 (2016) 14789–14797; doi:10.1021/jacs.6b09727

data_4125295
_publ_section_title
;
 Syntheses of (+)-30-epi-, (-)-6-epi-,
 (+-)-6,30-epi-13,14-Didehydroxyisogarcinol and
 (+-)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective,
 Lewis Acid-Controlled Cyclizations.
;
_journal_issue                   44
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14789
_journal_page_last               14797
_journal_paper_doi               10.1021/jacs.6b09727
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C32 H38 O4'
_chemical_formula_sum            'C32 H38 O4'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-08-31 # Formatted by publCIF
;
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_cell_measurement_theta_min      2.760
_cell_volume                     2727.8(4)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Proteum-R'
_diffrn_measurement_method       '/w and /f scans'
_diffrn_radiation_monochromator  Montel
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_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            88704
_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_max         66.691
_diffrn_reflns_theta_min         4.898
_diffrn_source                   'rotating anode'
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_exptl_absorpt_correction_T_min  0.8289
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2015)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_description       prism
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_exptl_crystal_size_min          0.25
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_refine_diff_density_min         -0.216
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4803
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0420P)^2^+1.1820P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.0955
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4745
_reflns_number_total             4803
_reflns_threshold_expression     'I > 2\s(I)'
_publcif_datablock.id            {8c4b6315-80fd-4fe0-9721-f74f37473fa9}
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_cod_data_source_block           boyce6_0m
_cod_depositor_comments
'Adding full bibliography for 4125295--4125297.cif.'
_cod_database_code               4125295
_shelx_shelxl_version_number     2014/7
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