Divergent synthesis of CF<sub>3</sub>-substituted polycyclic skeletons based on control of activation site of acid catalysts.
Yokoo, Kazuma; Mori, Keiji; Chemical communications (Cambridge, England) 54 (2018) 6927–6930; doi:10.1039/c8cc02377h

data_7121762
_publ_section_title
;
 Divergent synthesis of CF<sub>3</sub>-substituted polycyclic skeletons
 based on control of activation site of acid catalysts.
;
_journal_issue                   50
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              6927
_journal_page_last               6930
_journal_paper_doi               10.1039/c8cc02377h
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C17 H13 F3 O'
_chemical_formula_weight         290.27
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2018-03-13 deposited with the CCDC.
2018-05-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.1710(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.9659(17)
_cell_length_b                   8.4037(11)
_cell_length_c                   12.8931(17)
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_cell_measurement_temperature    123
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      2.97
_cell_volume                     1291.5(3)
_computing_cell_refinement       'APEX2 '
_computing_data_collection       'APEX2 '
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_molecular_graphics    'XSHELL (Bruker AXS,2002)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0291
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_k_min       -11
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.728
_diffrn_reflns_theta_min         1.708
_exptl_absorpt_coefficient_mu    0.121
_exptl_absorpt_correction_T_max  0.976
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_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
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_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0360P)^2^+0.5955P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0890
_refine_ls_wR_factor_ref         0.0943
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2647
_reflns_number_total             3072
_reflns_threshold_expression     'I > 2\s'
_cod_data_source_file            c8cc02377h2.cif
_cod_data_source_block           shelxla_a_a_a
_cod_depositor_comments          'Adding full bibliography for 7121762.cif.'
_cod_database_code               7121762
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_shelx_estimated_absorpt_t_max   0.976
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_shelx_res_checksum              50733