Pillar[6]arene-Based Photoresponsive Host-Guest Complexation
Guocan Yu; Chengyou Han; Zibin Zhang; Jianzhuang Chen; Xuzhou Yan; Bo Zheng; Shiyong Liu; Feihe Huang; Journal of the American Chemical Society 134 (2012) 8711–8717; doi:10.1021/ja302998q

data_4117968
_publ_contact_author_address
;
 Department of Chemistry
 Zhejiang University
 Hangzhou 310027, P. R. China
;
_publ_contact_author_email       fhuang@zju.edu.cn
_publ_contact_author_fax         86-571-87953189
_publ_contact_author_name        'Feihe Huang'
_publ_contact_author_phone       86-571-87953189
_publ_section_title
;
 Pillar[6]arene-Based Photoresponsive Host-Guest Complexation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8711
_journal_page_last               8717
_journal_paper_doi               10.1021/ja302998q
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C78 H108 O12'
_chemical_formula_sum            'C78 H108 O12'
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_symmetry_space_group_name_H-M   'P -1'
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                76.373(6)
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_cell_length_c                   23.3051(12)
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_cell_measurement_theta_min      3.4953
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_computing_cell_refinement       'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_collection       'CrysAlis PRO'
_computing_data_reduction        'CrysAlis PRO'
_computing_molecular_graphics    'OLEX2 (Dolomanov et al., 2009)'
_computing_publication_material  OLEX2
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.3592
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_k_min       -16
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_diffrn_reflns_theta_full        65.09
_diffrn_reflns_theta_max         65.09
_diffrn_reflns_theta_min         3.50
_exptl_absorpt_coefficient_mu    0.529
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_exptl_absorpt_correction_T_min  0.8365
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_exptl_absorpt_process_details
;
CrysAlis PRO (Oxford Diffraction, 2010) 
;
_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.818
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         13739
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.460
_refine_ls_R_factor_all          0.1758
_refine_ls_R_factor_gt           0.1400
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
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_cod_data_source_block           101214_dpp6
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_cod_database_code               4117968