Synthesis of the pentacylic core of (+)-salvileucalin B.
Taber, Douglass F; Paquette, Craig M; The Journal of organic chemistry 79 (2014) 3410–3413; doi:10.1021/jo500164x

data_4029279
_publ_section_title
;
 Synthesis of the pentacylic core of (+)-salvileucalin B.
;
_journal_issue                   8
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              3410
_journal_page_last               3413
_journal_paper_doi               10.1021/jo500164x
_journal_volume                  79
_journal_year                    2014
_chemical_formula_sum            'C14 H14 O3'
_chemical_formula_weight         230.25
_space_group_IT_number           19
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_symmetry_space_group_name_Hall  'P 2ac 2ab'
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_cell_angle_beta                 90.00
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_cell_measurement_temperature    200(2)
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_computing_molecular_graphics    'SHELXTL (Sheldrick, 2001)'
_computing_publication_material  'SHELXTL (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 836.6
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker AXS APEX diffractometer'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11241
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_diffrn_reflns_theta_min         2.75
_exptl_absorpt_coefficient_mu    0.102
_exptl_absorpt_correction_T_max  0.9856
_exptl_absorpt_correction_T_min  0.9630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.37
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_refine_diff_density_max         2.392
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_number_parameters     154
_refine_ls_number_reflns         2609
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      3.162
_refine_ls_R_factor_all          0.1668
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3563
_refine_ls_wR_factor_ref         0.3581
_reflns_number_gt                2522
_reflns_number_total             2609
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo500164x_si_001.cif
_cod_data_source_block           dout078
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for
 ./tmp-cod-update-bibliographies-12971/cifs/4029279.cif.
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_cod_original_cell_volume        1044.1(17)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               4029279