DABCO as a Dynamic Hinge between Cofacial Porphyrin Panels and Its Tumbling inside a Supramolecular Cavity
Soumen K. Samanta; Debabrata Samanta; Jan W. Bats; Michael Schmittel; Journal of Organic Chemistry 76 (2011) 7466–7473; doi:10.1021/jo201252q

data_4026581
_publ_section_title
;
 DABCO as a Dynamic Hinge between Cofacial Porphyrin Panels and Its
 Tumbling inside a Supramolecular Cavity
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7466
_journal_page_last               7473
_journal_paper_doi               10.1021/jo201252q
_journal_volume                  76
_journal_year                    2011
_chemical_formula_moiety         'C64 H46 N6 Zn, 10(C7 H8)'
_chemical_formula_sum            'C134 H126 N6 Zn'
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_chemical_name_systematic
; 
 ? 
;
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_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_ambient_temperature      164(2)
_diffrn_measured_fraction_theta_full 0.950
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_diffrn_measurement_device_type  SIEMENS_SMART_CCD
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_diffrn_radiation_source         'normal-focus sealed tube'
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_diffrn_standards_decay_%        20
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_exptl_absorpt_correction_T_max  1.00
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_exptl_absorpt_process_details   'SADABS (Sheldrick, 2000)'
_exptl_crystal_colour            dark_brown
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_refine_ls_restrained_S_all      0.928
_refine_ls_R_factor_all          0.1918
_refine_ls_R_factor_gt           0.0843
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_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.06P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_cod_original_sg_symbol_H-M      'P 21/c'
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