The crystal structure of 4'-{4-[(2,2,5,5-tetramethyl-<i>N</i>-oxyl-3-pyrrolin-3-yl)ethynyl]phenyl}-2,2':6',2''-terpyridine
Meyer, Andreas; Wiecek, Jennifer; Schnakenburg, Gregor; Schiemann, Olav; Acta Crystallographica Section E 71 (2015) 870–874; doi:10.1107/S2056989015012086

data_2240888
_publ_section_title
;
 The crystal structure of
 4'-{4-[(2,2,5,5-tetramethyl-<i>N</i>-oxyl-3-pyrrolin-3-yl)ethynyl]phenyl}-2,2':6',2''-terpyridine
;
_journal_coeditor_code           LH5769
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              870
_journal_page_last               874
_journal_paper_doi               10.1107/S2056989015012086
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'C31 H27 N4 O'
_chemical_formula_moiety         'C31 H27 N4 O'
_chemical_formula_sum            'C31 H27 N4 O'
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_chemical_name_systematic
;
4'-{4-[(2,2,5,5-Tetramethyl-<i>N</i>-oxyl-3-pyrrolin-3-yl)ethynyl]phenyl}-2,2':6',2''-terpyridine
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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Olex2 1.2
(compiled 2014.12.26 svn.r3119 for OlexSys, GUI svn.r4975)
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SCALEPACK (Otwinowski & Minor, 1997)
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Denzo and SCALEPACK (Otwinowski & Minor, 1997)
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DENZO and SCALEPACK (Otwinowski & Minor, 1997)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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SHELXL97 (Sheldrick, 2015)
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SHELXS97 (Sheldrick, 2008)
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_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'fine slicing \w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -24
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(Blessing, 1995)
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0520P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
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