Rh(I)-Catalyzed Formal [6 + 2] Cycloaddition of 4-Allenals with Alkynes or Alkenes in a Tether
Yoshihiro Oonishi; Akihito Hosotani; Yoshihiro Sato; Journal of the American Chemical Society 133 (2011) 10386–10389; doi:10.1021/ja203824v

data_4106386
_publ_contact_author_address
;
      Faculty of Pharmaceutical Sciences, Hokkaido University,
 Sapporo 060-0812, Japan
;
_publ_contact_author_email       biyo@pharm.hokoudai.ac.jp
_publ_contact_author_fax         +81-11-706-4982
_publ_contact_author_name        'Yoshihiro Sato'
_publ_contact_author_phone       +81-11-706-4982
_publ_section_title
;
 Rh(I)-Catalyzed Formal [6 + 2] Cycloaddition of 4-Allenals with Alkynes
 or Alkenes in a Tether
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10386
_journal_page_last               10389
_journal_paper_doi               10.1021/ja203824v
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C16 H20 O5 '
_chemical_formula_sum            'C16 H20 O5'
_chemical_formula_weight         292.33
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Thu Feb 11 15:39:24 2010'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 94.81(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.650(2)
_cell_length_b                   11.016(3)
_cell_length_c                   18.306(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.4
_cell_volume                     1537.3(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9994
_diffrn_measured_fraction_theta_max 0.9994
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            3976
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        3.45
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.093
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.22
_refine_ls_extinction_coef       0.002(4)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.884
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     191
_refine_ls_number_reflns         2531
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.0057
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0713
_reflns_number_gt                2531
_reflns_number_total             3519
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ja203824v_si_002.cif
_cod_data_source_block           master_file_afc7r.xtl
_cod_original_cell_volume        1537.3(5)
_cod_original_formula_sum        'C16 H20 O5 '
_cod_database_code               4106386