Pyrene-Based Approach to Tune Emission Color from Blue to Yellow.
Wang, Chuan-Zeng; Ichiyanagi, Hisashi; Sakaguchi, Koya; Feng, Xing; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko; The Journal of organic chemistry 82 (2017) 7176–7182; doi:10.1021/acs.joc.7b00685

data_4032609
_publ_section_title
;
 Pyrene-Based Approach to Tune Emission Color from Blue to Yellow.
;
_journal_issue                   14
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              7176
_journal_page_last               7182
_journal_paper_doi               10.1021/acs.joc.7b00685
_journal_volume                  82
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_chemical_formula_moiety         'C48 H44 N2 O4'
_chemical_formula_sum            'C48 H44 N2 O4'
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_symmetry_space_group_name_Hall  '-P 2yn'
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_cell_measurement_theta_min      2.40
_cell_volume                     3776.1(3)
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX 2 CCD diffractometer'
_diffrn_measurement_method       '\w rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
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_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_restrained_S_all      1.030
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0897P)^2^+1.2641P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                8908
_reflns_number_total             11474
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 4032609.cif.'
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_shelx_estimated_absorpt_t_min   0.934
_shelx_estimated_absorpt_t_max   0.967
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