Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives
Purushothaman, Gayathri; Thiruvenkatam, Vijay; Acta Crystallographica Section C 74 (2018) –; doi:10.1107/S205322961800832X

data_2021163
_publ_section_title
;
 Qualitative and quantitative analysis of intermolecular interactions in
 xanthenedione derivatives
;
_journal_coeditor_code           RH3005
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S205322961800832X
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          'C24 H27 Br O4'
_chemical_formula_moiety         'C24 H27 Br O4'
_chemical_formula_structural     'C24 H27 Br O4'
_chemical_formula_sum            'C24 H27 Br O4'
_chemical_formula_weight         459.36
_chemical_name_common            Xanthenedione
_chemical_name_systematic
9-(5-Bromo-2-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydro-2<i>H</i>-xanthene-1,8(5<i>H</i>,9<i>H</i>)-dione
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_cell_measurement_theta_min      2
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_computing_cell_refinement
;
SAINT (Bruker, 2004)
;
_computing_data_collection
;
SMART (Bruker, 2004)
;
_computing_data_reduction
;
SAINT (Bruker, 2004)
;
_computing_molecular_graphics
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ORTEP-3 for Windows (Farrugia, 2012) and CAMERON (Watkin <i>et al.</i>,
1996)
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PLATON (Spek, 2009)
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SHELXL97 (Sheldrick, 2008)
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SHELXS97 (Sheldrick, 2008)
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_diffrn_ambient_temperature      290(2)
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_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
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_diffrn_reflns_theta_max         27.984
_diffrn_reflns_theta_min         1.814
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.881
_exptl_absorpt_correction_type   none
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_exptl_crystal_description       prism
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'w=1/[\s^2^(Fo^2^)+(0.0482P)^2^+1.2278P] where P=(Fo^2^+2Fc^2^)/3'
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