Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes
Peloquin, Andrew J.; Adas, Sonya K.; Iacono, Scott T.; Balaich, Gary J.; Acta Crystallographica Section E 75 (2019) 838–842; doi:10.1107/S205698901900700X

data_2242943
_publ_section_title
;
 Crystal structures of a series of 6-aryl-1,3-diphenylfulvenes
;
_journal_coeditor_code           HB7824
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              838
_journal_page_last               842
_journal_paper_doi               10.1107/S205698901900700X
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          'C25 H20'
_chemical_formula_moiety         'C25 H20'
_chemical_formula_sum            'C25 H20'
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_chemical_name_common            1,3-diphenyl-6-(3-methylphenyl)fulvene
_chemical_name_systematic
;
{3-[(3-Methylphenyl)methylidene]-4-phenylcyclopenta-1,4-dien-1-yl}benzene
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
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;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
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_computing_cell_refinement
;
SAINT (Bruker, 2017)
;
_computing_data_collection
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APEX3 (Bruker, 2017)
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_computing_data_reduction
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SAINT (Bruker, 2017)
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<i>ORTEP-3 for Windows</i> (Farrugia, 2012) and Mercury (Macrae, <i>et
al.</i>,
2008)
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<i>publCIF</i> (Westrip, 2010)
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SHELXL (Sheldrick, 2015<i>b</i>)
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_computing_structure_solution
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SHELXT (Sheldrick, 2015<i>a</i>)
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_diffrn_reflns_limit_l_min       -28
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_diffrn_reflns_theta_max         26.833
_diffrn_reflns_theta_min         1.932
_diffrn_standards_number         0
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_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0477
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0482P)^2^+3.8961P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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