Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State
Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro; The Journal of Physical Chemistry C 115 (2011) 11265–; doi:10.1021/jp201168x

data_1501698
_publ_contact_author             'Masaki Shimizu'
_publ_section_title
;
 Highly Efficient Blue Fluorescence from 3,2&#x2032;-Silylene-Bridged
 2-Phenylindoles in the Solid State
;
_journal_issue                   22
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              11265
_journal_paper_doi               10.1021/jp201168x
_journal_volume                  115
_journal_year                    2011
_chemical_formula_sum            'C27 H26 F3 N Si'
_chemical_formula_weight         449.58
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2009-02-26 # Formatted by publCIF
;
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_cell_angle_gamma                90.00
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_cell_length_c                   20.240(3)
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_cell_measurement_theta_min      2.44
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_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      300(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
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_exptl_absorpt_coefficient_mu    0.135
_exptl_absorpt_correction_T_max  0.9608
_exptl_absorpt_correction_T_min  0.9358
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.50
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1524P)^2^+0.1873P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2021
_refine_ls_wR_factor_ref         0.2140
_reflns_number_gt                3644
_reflns_number_total             4494
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jp201168x_si_003.cif
_cod_data_source_block           compound_5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

 Adding full bibliography for 1501697--1501698.cif.
;
_cod_original_cell_volume        2411.0(7)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               1501698