Diastereoselective Ring Opening of Fully-Substituted Cyclopropanes via Intramolecular Friedel–Crafts Alkylation
Marek, Ilan; Lanke, Veeranjaneyulu; Zhang, Fa-Guang; Kaushansky, Alexander; Chemical Science  (2019) –; doi:10.1039/C9SC03832A

data_1552265
_publ_section_title
;
 Diastereoselective Ring Opening of Fully-Substituted Cyclopropanes via
 Intramolecular Friedel--Crafts Alkylation
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/C9SC03832A
_journal_year                    2019
_chemical_formula_moiety         'C26 H36 O Si'
_chemical_formula_sum            'C26 H36 O Si'
_chemical_formula_weight         392.64
_chemical_name_common            'Marek144b (Veeru)'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc21cv09
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-01-01 deposited with the CCDC.    2019-08-27 downloaded from the CCDC.
;
_cell_angle_alpha                93.882(4)
_cell_angle_beta                 98.155(3)
_cell_angle_gamma                92.157(4)
_cell_formula_units_Z            4
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_cell_length_b                   17.041(3)
_cell_length_c                   17.626(3)
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_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.089
_cell_measurement_theta_min      1.170
_cell_volume                     2368.5(7)
_computing_cell_refinement       'APEX2 v2010.7-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service v2010.7.0.0'
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_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 95
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'APEX2 (Bruker AXS)'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_unetI/netI     0.0653
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
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_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
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_diffrn_reflns_point_group_measured_fraction_full 0.994
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_diffrn_reflns_theta_full        25.089
_diffrn_reflns_theta_max         25.089
_diffrn_reflns_theta_min         1.170
_exptl_absorpt_coefficient_mu    0.112
_exptl_absorpt_correction_T_max  0.960
_exptl_absorpt_correction_T_min  0.959
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
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_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.943
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0584P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1052
_refine_ls_wR_factor_ref         0.1150
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5679
_reflns_number_total             8389
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9sc03832a2.cif
_cod_data_source_block           Marek144b
_cod_original_cell_volume        2368.5(6)
_cod_database_code               1552265
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.974
_shelx_estimated_absorpt_t_max   0.980
_shelx_res_checksum              90919