A tandem catalytic approach to methyleneindenes: mechanistic insights into gem-dibromoolefin reactivity.
Bryan, Christopher S.; Lautens, Mark; Organic letters 12 (2010) 2754–2757; doi:10.1021/ol100844v

data_1503008
_publ_section_title
;
 A tandem catalytic approach to methyleneindenes: mechanistic insights
 into gem-dibromoolefin reactivity.
;
_journal_issue                   12
_journal_name_full               'Organic letters'
_journal_page_first              2754
_journal_page_last               2757
_journal_paper_doi               10.1021/ol100844v
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C20 H18 O4'
_chemical_formula_sum            'C20 H18 O4'
_chemical_formula_weight         322.34
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_cell_angle_beta                 93.713(5)
_cell_angle_gamma                108.481(4)
_cell_formula_units_Z            4
_cell_length_a                   7.7467(6)
_cell_length_b                   8.7550(7)
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_cell_measurement_temperature    150(1)
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_cell_measurement_theta_min      2.7
_cell_volume                     1617.1(2)
_computing_cell_refinement       'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius B.V., 1997-2002)'
_computing_data_reduction        Denzo-SMN
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_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(1)
_diffrn_detector_area_resol_mean 9
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_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Nonius KappaCCD'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
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_diffrn_reflns_limit_l_min       -30
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_diffrn_reflns_theta_full        25.08
_diffrn_reflns_theta_max         25.08
_diffrn_reflns_theta_min         2.65
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_exptl_absorpt_correction_T_max  0.997
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
multi-scan from symmetry-related measurements 
 Sortav (Blessing 1995) 
;
_exptl_crystal_colour            orange
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_exptl_crystal_density_method    'not measured'
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_refine_ls_structure_factor_coef Fsqd
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'calc w=1[s^2^(Fo^2^)+(0.0921P)^2^] where P=(Fo^2^+2Fc^2^)3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1466
_refine_ls_wR_factor_ref         0.1809
_reflns_number_gt                3189
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_cod_data_source_file            ol100844v_si_002.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               1503008
_diffrn_reflns_av_sigmaineti     0.0910
_refine_ls_shiftsu_max           0.000
_refine_ls_shiftsu_mean          0.000