Alkylated Trimethylene-Bridged Bis(p-Phenylenediamines)
Stephen F. Nelsen; Gaoquan Li; Kevin P. Schultz; Hieu Q. Tran; Ilia A. Guzei; Dennis H. Evans; Journal of the American Chemical Society 130 (2008) 11620–11622; doi:10.1021/ja802292g

data_4108260
_publ_contact_author_address
;
Department of Chemistry
University of Wisconsin-Madison
1101 University Ave
Madison, WI  53706
USA
;
_publ_contact_author_email       iguzei@chem.wisc.edu
_publ_contact_author_fax         608-262-0381
_publ_contact_author_name
;
Guzei, Ilia A. 
;
_publ_contact_author_phone       608-263-4694
_publ_section_title
;
 Alkylated Trimethylene-Bridged Bis(p-Phenylenediamines)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11620
_journal_page_last               11622
_journal_paper_doi               10.1021/ja802292g
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C30 H48 N4'
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_audit_creation_method
;
manual editing of the CIF file 
created by SHELXTL Ver. 6.10
and processed with modiCIfer-03272007. 
;
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_diffrn_ambient_temperature      444(2)
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_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
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_diffrn_radiation_monochromator  graphite
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_exptl_absorpt_correction_T_min  0.8093
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_exptl_absorpt_process_details
;
SADABS  (Bruker-AXS, 2007)
;
_exptl_crystal_colour            colourless
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0707P)^2^+0.3777P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ja802292g_si_003.cif
_cod_data_source_block           nelsen15
_cod_original_sg_symbol_Hall     '-P 1        '
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4108260