Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.
Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir; MedChemComm 9 (2018) 2017–2027; doi:10.1039/c8md00431e

data_7122520
_publ_section_title
;
 Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone
 derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.
;
_journal_issue                   12
_journal_name_full               MedChemComm
_journal_page_first              2017
_journal_page_last               2027
_journal_paper_doi               10.1039/c8md00431e
_journal_volume                  9
_journal_year                    2018
_chemical_absolute_configuration syn
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_chemical_formula_sum            'C15 H18 O5'
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_chemical_melting_point          392
_chemical_name_common
3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-L-glycero-D-ido-heptono-1,4-lactone
_chemical_name_systematic
3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-L-glycero-D-ido-heptono-1,4-lactone
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_symmetry_space_group_name_Hall  'P 2ac 2ab'
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;
2018-05-15 deposited with the CCDC.
2018-10-24 downloaded from the CCDC.
;
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
        (compiled Aug 13 2014,18:06:01)
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
        (compiled Aug 13 2014,18:06:01)
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_diffrn_measurement_method       '\w and \p scans'
_diffrn_measurement_specimen_support 'glass fiber'
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;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
        (compiled Aug 13 2014,18:06:01)
 
 Analytical numeric absorption correction using a multifaceted crystal
 model based on expressions derived by R.C. Clark & J.S. Reid
 (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897), followed by
 empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_refine_ls_abs_structure_details
; The absolute structure parameter is meaningless because the compound is a week 
 anomalous scatterer.

;
_refine_ls_extinction_coef       3.5(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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'w=1/[\s^2^(Fo^2^)+(0.1300P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
'Adding full bibliography for 7122519--7122524.cif.'
_cod_database_code               7122520
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_cell_oxdiff_length_c            18.6139(7)
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