Synthesis of fused carbocycles via a selective 6-endo dig gold(I)-catalyzed carbocyclization.
Barabé, Francis; Levesque, Patrick; Korobkov, Ilia; Barriault, Louis; Organic letters 13 (2011) 5580–5583; doi:10.1021/ol202314q

data_1502518
_publ_section_title
;
 Synthesis of fused carbocycles via a selective 6-endo dig
 gold(I)-catalyzed carbocyclization.
;
_journal_issue                   20
_journal_name_full               'Organic letters'
_journal_page_first              5580
_journal_page_last               5583
_journal_paper_doi               10.1021/ol202314q
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C22 H26 O5'
_chemical_formula_weight         370.43
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                90.00
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_cell_length_c                   12.748(19)
_cell_measurement_reflns_used    5758
_cell_measurement_temperature    200(2)
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_cell_volume                     1956(5)
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_computing_data_collection       'SMART, Bruker (2000)'
_computing_data_reduction        'XPREP, Bruker (2000)'
_computing_molecular_graphics    'SHELXTL, Bruker (2000)'
_computing_publication_material  'SHELXTL, Bruker (2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.873
_diffrn_measured_fraction_theta_max 0.875
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         26.39
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_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_T_max  0.9808
_exptl_absorpt_correction_T_min  0.9723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_density_meas      ?
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_exptl_crystal_description       block
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_exptl_crystal_size_max          0.32
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_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.268
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     244
_refine_ls_number_reflns         3500
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_refine_ls_R_factor_all          0.0993
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0695P)^2^+1.3447P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1328
_refine_ls_wR_factor_ref         0.1692
_reflns_number_gt                2201
_reflns_number_total             3500
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol202314q_si_002.cif
_cod_data_source_block           lb53
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1502518