Synthesis and investigation of singlet oxygen production efficiency of photosensitizers based on meso-phenyl-2,5-thienylene linked porphyrin oligomers and polymers.
Khan, Rehan; Idris, Muazzam; Tuncel, Dönüs; Organic & biomolecular chemistry 13 (2015) 10496–10504; doi:10.1039/c5ob01435b

data_7154687
_publ_section_title
;
 Synthesis and investigation of singlet oxygen production efficiency of
 photosensitizers based on meso-phenyl-2,5-thienylene linked porphyrin
 oligomers and polymers.
;
_journal_issue                   42
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              10496
_journal_page_last               10504
_journal_paper_doi               10.1039/c5ob01435b
_journal_volume                  13
_journal_year                    2015
_chemical_formula_sum            'C48 H36 Br2 N4 O4'
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;
 ?
;
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_symmetry_space_group_name_Hall  '-C 2yc'
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_audit_update_record
;
2015-07-13 deposited with the CCDC.
2015-09-02 downloaded from the CCDC.
;
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_diffrn_measured_fraction_theta_max 0.997
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_diffrn_reflns_theta_min         2.368
_diffrn_source                   'Rotating Anode'
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_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Brown
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_exptl_crystal_description       Needle
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0543P)^2^+27.0327P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2083
_refine_ls_wR_factor_ref         0.2160
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3168
_reflns_number_total             3666
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5ob01435b2.cif
_cod_data_source_block           trans4p
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'None' changed to 'none'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7154686--7154687.cif.
;
_cod_database_code               7154687
_shelx_estimated_absorpt_t_min   0.653
_shelx_estimated_absorpt_t_max   0.967
_shelxl_version_number           2013-4
_shelx_res_checksum              16415