Nature of the E⋯E′ interactions (E, E′ = O, S, Se, and Te) at naphthalene 1,8-positions with fine details of the structures: experimental and theoretical investigations
Hayashi, Satoko; Uegaito, Manabu; Nishide, Taro; Tanaka, Eiichiro; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro; Minoura, Mao; New Journal of Chemistry 43 (2019) 14224–; doi:10.1039/C9NJ02198A

data_7058769
_publ_section_title
;
 Nature of the E&#x22EF;E&#x2032; interactions (E, E&#x2032; = O, S, Se,
 and Te) at naphthalene 1,8-positions with fine details of the structures:
 experimental and theoretical investigations
;
_journal_issue                   36
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              14224
_journal_paper_doi               10.1039/C9NJ02198A
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C22 H16 S Te'
_chemical_formula_sum            'C22 H16 S Te'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-07-25 deposited with the CCDC.    2019-08-08 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Rigaku Mercury'
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_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
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_refine_ls_restrained_S_all      1.176
_refine_ls_R_factor_all          0.0368
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+5.6119P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           3e_PhS-PhTe-Nap
_cod_depositor_comments
'Adding full bibliography for 7058768--7058773.cif.'
_cod_original_cell_volume        1766.0(7)
_cod_database_code               7058769
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              19735