Using the rotaxane mechanical bond to enhance chemical reactivity.
Baumes, Jeffrey M.; Murgu, Ivan; Oliver, Allen; Smith, Bradley D.; Organic letters 12 (2010) 4980–4983; doi:10.1021/ol102132x

data_1503268
_publ_section_title
;
 Using the rotaxane mechanical bond to enhance chemical reactivity.
;
_journal_issue                   21
_journal_name_full               'Organic letters'
_journal_page_first              4980
_journal_page_last               4983
_journal_paper_doi               10.1021/ol102132x
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C98 H86 N8 O6, 4(C3 H7 N O)'
_chemical_formula_sum            'C110 H114 N12 O10'
_chemical_formula_weight         1764.13
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
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_cell_angle_gamma                90.00
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_computing_cell_refinement       'Bruker SAINT v7.60A'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_full 0.998
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_diffrn_measurement_device_type  'Bruker Kappa X8-APEX-II'
_diffrn_measurement_method       'combination of \w and \f-scans '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         26.48
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_exptl_absorpt_coefficient_mu    0.079
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_exptl_absorpt_correction_type   numerical
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_exptl_crystal_colour            'red/green dichroic'
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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;
;
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_refine_ls_R_factor_all          0.0867
_refine_ls_R_factor_gt           0.0533
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0762P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_database_code               1503268