Selective Linear Triene Formation from Different Alkynes using Zr/Cu system
Ken-ichiro Kanno; Eri Igarashi; Lishan Zhou; Kiyohiko Nakajima; Tamotsu Takahashi; Journal of the American Chemical Society 130 (2008) 5624–5625; doi:10.1021/ja8000387

data_4107719
_publ_section_title
;
 Selective Linear Triene Formation from Different Alkynes using Zr/Cu
 system
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5624
_journal_page_last               5625
_journal_paper_doi               10.1021/ja8000387
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C26 H27 Cl O4 '
_chemical_formula_sum            'C26 H27 Cl O4'
_chemical_formula_weight         438.95
_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                 97.658(13)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   8.3110(18)
_cell_length_b                   19.218(7)
_cell_length_c                   14.770(4)
_cell_measurement_reflns_used    17724
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2338.0(12)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2004
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22112
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.192
_exptl_absorpt_correction_T_max  0.953
_exptl_absorpt_correction_T_min  0.929
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_description       prism
_exptl_crystal_F_000             928.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.28
_refine_diff_density_min         -1.20
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     322
_refine_ls_number_reflns         16936
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0030Fo^2^ + 1.0000\s(Fo^2^) + 3.0000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0927
_reflns_number_gt                16832
_reflns_number_total             5304
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja8000387-file003.cif
_cod_data_source_block           '_tt65'
_cod_original_cell_volume        2337.9(11)
_cod_original_formula_sum        'C26 H27 Cl O4 '
_cod_database_code               4107719