Light-Driven Open-Close Motion of Chiral Molecular Scissors
Takahiro Muraoka; Kazushi Kinbara; Yuka Kobayashi; Takuzo Aida; Journal of the American Chemical Society 125 (2003) 5612–5613; doi:10.1021/ja034994f

data_4113734
_publ_contact_author_address
;
Department of Chemistry and Biotechnology, School of Engineerig, 
The University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
;
_publ_contact_author_email       'aida@macro.t.u-tokyo.ac.jp '
_publ_contact_author_fax         '+81-3-5841-7310 '
_publ_contact_author_name        'Takuzo Aida'
_publ_contact_author_phone       '+81-3-5841-7251 '
_publ_section_title
;
 Light-Driven Open-Close Motion of Chiral Molecular Scissors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5612
_journal_page_last               5613
_journal_paper_doi               10.1021/ja034994f
_journal_volume                  125
_journal_year                    2003
_chemical_compound_source        'Aida laboratory'
_chemical_formula_moiety         'C50 H44 Fe N2 '
_chemical_formula_sum            'C50 H44 Fe N2'
_chemical_formula_weight         728.7578
_chemical_name_systematic
;
 ?
;
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_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_audit_creation_method           maXus
_cell_angle_alpha                69.734(3)
_cell_angle_beta                 64.789(4)
_cell_angle_gamma                72.747(4)
_cell_formula_units_Z            2
_cell_length_a                   11.8440(6)
_cell_length_b                   13.4620(7)
_cell_length_c                   13.7750(8)
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_cell_measurement_temperature    298
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_cell_volume                     1835.14(18)
_computing_cell_refinement       'HKL Scalepack'
_computing_data_collection       'DIP Image plate'
_computing_data_reduction        'maXus (Mackay et al., 1999)'
_diffrn_measurement_device       'DIP Image plate'
_diffrn_measurement_method       IP
_diffrn_radiation_source         'self-rotating anode'
_diffrn_radiation_type           ' Mo Ka'
_diffrn_radiation_wavelength_id  all
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_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_theta_max         25.98
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_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
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_exptl_absorpt_coefficient_mu    0.45
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_description       Plate
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.73
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_reflns         5076
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.0050
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.004Fo^2^ + 1.000s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0860
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_reflns_limit_h_min              0
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_reflns_limit_k_min              -15
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_reflns_limit_l_min              -15
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_reflns_number_total             6917
_reflns_threshold_expression     F^2^>2.0s(F^2^)
_cod_data_source_file            ja034994fsi20030402_020049.cif
_cod_data_source_block           global
_cod_original_cell_volume        1835.1(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C50 H44 Fe N2 '
_cod_database_code               4113734