From furans to phosphinines.
Mao, Yanli; Mathey, Francois; Organic letters 12 (2010) 3384–3385; doi:10.1021/ol1012229

data_1503081
_publ_section_title
;
 From furans to phosphinines.
;
_journal_issue                   15
_journal_name_full               'Organic letters'
_journal_page_first              3384
_journal_page_last               3385
_journal_paper_doi               10.1021/ol1012229
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C20 H12 O13 P2 W2'
_chemical_formula_sum            'C20 H12 O13 P2 W2'
_chemical_formula_weight         889.94
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 78.9520(10)
_cell_angle_gamma                84.0210(10)
_cell_formula_units_Z            2
_cell_length_a                   10.0533(4)
_cell_length_b                   10.6263(4)
_cell_length_c                   13.1213(5)
_cell_measurement_reflns_used    9255
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      31.26
_cell_measurement_theta_min      2.71
_cell_volume                     1262.80(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0552
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_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            35593
_diffrn_reflns_theta_full        31.30
_diffrn_reflns_theta_max         31.30
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    9.294
_exptl_absorpt_correction_T_max  0.1670
_exptl_absorpt_correction_T_min  0.1186
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             828
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_exptl_crystal_size_min          0.30
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_refine_ls_number_reflns         8167
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_refine_ls_R_factor_all          0.0303
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0038P)^2^+3.6130P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0623
_refine_ls_wR_factor_ref         0.0640
_reflns_number_gt                7411
_reflns_number_total             8167
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol1012229_si_002.cif
_cod_data_source_block           mat65
_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_original_cell_volume        1262.80(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1503081