A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors
He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi; Chem. Sci. 6 (2015) 3180–; doi:10.1039/C5SC00304K

data_1518951
_publ_section_title
;
 A divergent route to core- and peripherally functionalized diazacoronenes
 that act as colorimetric and fluorescence proton sensors
;
_journal_issue                   5
_journal_name_full               'Chem. Sci.'
_journal_page_first              3180
_journal_paper_doi               10.1039/C5SC00304K
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'C46 H46 N2 O2'
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_chemical_name_systematic
;
 ?
;
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_space_group_name_Hall           '-P 2ybc'
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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;
2014-11-03 deposited with the CCDC.
2015-03-31 downloaded from the CCDC.
;
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1158P)^2^+1.2462P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2130
_refine_ls_wR_factor_ref         0.2409
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_reflns_number_gt                2417
_reflns_number_total             3651
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5sc00304k2.cif
_cod_data_source_block           eh_bac_2_a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Direct' changed to 'direct'
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 3143 2015-03-26 13:38:13Z robertas 

 Adding full bibliography for 1518949--1518951.cif.
;
_cod_database_code               1518951
_shelx_estimated_absorpt_t_min   0.973
_shelx_estimated_absorpt_t_max   0.999
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_shelx_res_checksum              84911
_shelx_hkl_checksum              22672