Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties.
Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B.; The Journal of organic chemistry 85 (2020) 4256–4266; doi:10.1021/acs.joc.9b03421

data_4038028
_publ_section_title
;
 Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene
 Conjugates: Synthesis, Structures, and Photophysical Properties.
;
_journal_issue                   6
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              4256
_journal_page_last               4266
_journal_paper_doi               10.1021/acs.joc.9b03421
_journal_volume                  85
_journal_year                    2020
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_diffrn_measured_fraction_theta_max 0.971
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_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_limit_h_min       -15
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_point_group_measured_fraction_full 0.974
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_diffrn_reflns_theta_max         74.893
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_exptl_crystal_description       block
_exptl_crystal_F_000             744
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'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.3471
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4038018--4038031.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4038028
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_shelx_estimated_absorpt_t_min   0.834
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_exptl_absorpt_special_details
;
about 2 hours for data collection, 
with scale.
;
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