Eumelanin-inspired core derived from vanillin: a new building block for organic semiconductors.
Selvaraju, Subhashini; Niradha Sachinthani, K. A.; Hopson, RaiAnna A; McFarland, Frederick M.; Guo, Song; Rheingold, Arnold L.; Nelson, Toby L.; Chemical communications (Cambridge, England) 51 (2015) 2957–; doi:10.1039/c4cc09011j

data_7116491
_publ_section_title
;
 Eumelanin-inspired core derived from vanillin: a new building block for
 organic semiconductors.
;
_journal_issue                   14
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2957
_journal_paper_doi               10.1039/c4cc09011j
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C29 H23 N O4'
_chemical_formula_weight         449.48
_chemical_name_common            SSB-10-100
_chemical_name_systematic
'Methyl 5,6-dimethoxy-1-methyl-4,7bis(phenylethynyl)-1H-indole-2-carboxylate'
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2014-11-10 deposited with the CCDC.
2015-01-08 downloaded from the CCDC.
;
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_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_exptl_absorpt_coefficient_mu    0.087
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
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_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0819
_refine_ls_R_factor_gt           0.0498
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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^)+(0.0585P)^2^+0.2200P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4424
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           nelson01
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