Reaction of perfluorocyclopentene with various carbon nucleophiles–heteroaromatic lithium reagents, enolate and phosphonium ylide.
Yamada, Shigeyuki; Ishii, Emi; Konno, Tsutomu; Ishihara, Takashi; Organic & biomolecular chemistry 5 (2007) 1442–1449; doi:10.1039/b701702b

data_7151104
_publ_section_title
;
 Reaction of perfluorocyclopentene with various carbon
 nucleophiles--heteroaromatic lithium reagents, enolate and phosphonium
 ylide.
;
_journal_issue                   9
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              1442
_journal_page_last               1449
_journal_paper_doi               10.1039/b701702b
_journal_volume                  5
_journal_year                    2007
_chemical_formula_moiety         'C43 H32 Br F5 P2 '
_chemical_formula_sum            'C43 H32 Br F5 P2'
_chemical_formula_weight         785.57
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 111.93(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.463(9)
_cell_length_b                   18.190(11)
_cell_length_c                   13.501(10)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    198.1
_cell_measurement_theta_max      28.6
_cell_measurement_theta_min      25.0
_cell_volume                     3750(4)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  SHELXL
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.144
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9072
_diffrn_reflns_theta_full        66.92
_diffrn_reflns_theta_max         66.92
_diffrn_standards_decay_%        3.50
_diffrn_standards_interval_count 0
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.768
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1600.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.55
_refine_diff_density_min         -1.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     461
_refine_ls_number_reflns         6653
_refine_ls_R_factor_gt           0.0789
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1727P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2354
_reflns_number_gt                4764
_reflns_number_total             6653
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b701702b.txt
_cod_data_source_block           '_yamada-R304'
_cod_original_formula_sum        'C43 H32 Br F5 P2 '
_cod_database_code               7151104