The relationship between Hirshfeld potential and cytotoxic activity: a study along a series of flavonoid and chromanone derivatives
Małecka, Magdalena; Kusz, Joachim; Eriksson, Lars; Adamus-Grabicka, Angelika; Budzisz, Elżbieta; Acta Crystallographica Section C 76 (2020) –; doi:10.1107/S205322962000813X

data_2022180
_publ_section_title
;
 The relationship between Hirshfeld potential and cytotoxic activity: a
 study along a series of flavonoid and chromanone derivatives
;
_journal_coeditor_code           YF3205
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
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;
;
_journal_paper_doi               10.1107/S205322962000813X
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          'C22 H16 O2'
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_chemical_name_common            (E)-3-benzylidene-2-phenylchroman-4-one
_chemical_name_systematic
;
(<i>E</i>)-3-Benzylidene-2-phenylchroman-4-one
;
_space_group_crystal_system      monoclinic
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_cell_angle_beta                 100.420(3)
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;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 1999)
;
_computing_publication_material
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SHELXL2014 (Sheldrick, 2015b) and
publCIF (Westrip, 2010)
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SHELXL2014 (Sheldrick, 2015b)
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SHELXS (Sheldrick, 2015a)
;
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'Rigaku OD SuperNova Dual source diffractometer with an Atlas detector'
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_diffrn_reflns_limit_k_min       -20
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;
(CrysAlis PRO; Rigaku OD, 2015)
;
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0600P)^2^+1.5246P] where P=(Fo^2^+2Fc^2^)/3'
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