Side Chain Engineering in π-Stacked Polybenzofulvene Derivatives Bearing Electron-Rich Chromophores for OLED Applications
Cappelli, Andrea; Razzano, Vincenzo; Fabio, Giuseppe; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Mróz, Wojciech; Villafiorita-Monteleone, Francesca; Botta, chiara; RSC Adv.  (2015) –; doi:10.1039/C5RA21164F

data_7223300
_publ_section_title
;
 Side Chain Engineering in \p-Stacked Polybenzofulvene Derivatives Bearing
 Electron-Rich Chromophores for OLED Applications
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA21164F
_journal_year                    2015
_chemical_formula_moiety         'C31 H23 N O3'
_chemical_formula_sum            'C31 H23 N O3'
_chemical_formula_weight         457.50
_chemical_name_systematic
;

ethyl 6-(9-methyl-9H-carbazol-3-yl)-1-oxo-3-phenyl-1H-indene-2-carboxylate
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_symmetry_space_group_name_Hall  '-P 2yn'
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2015-05-02 deposited with the CCDC.
2015-11-16 downloaded from the CCDC.
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
;
_computing_data_reduction
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
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_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
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_diffrn_ambient_temperature      293(2)
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         29.105
_diffrn_reflns_theta_min         2.387
_exptl_absorpt_coefficient_mu    0.085
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CrysAlisPro, Oxford Diffraction Ltd.,
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(compiled Apr 28 2010,14:27:37)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_density_diffrn    1.320
_exptl_crystal_F_000             960
_refine_diff_density_max         0.183
_refine_diff_density_min         -0.182
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
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_refine_ls_number_parameters     329
_refine_ls_number_reflns         5415
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_refine_ls_R_factor_all          0.1681
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0353P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1865
_reflns_number_total             5415
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5ra21164f2.cif
_cod_data_source_block           VC1548
_cod_original_cell_volume        2302.0(7)
_cod_database_code               7223300
_cell_oxdiff_measurement_reflns_used 2967