Multi-site cyclization via initial C-H activation using a rhodium(iii) catalyst: rapid assembly of frameworks containing indoles and indolines.
Huang, Ji-Rong; Qin, Liu; Zhu, Yu-Qin; Song, Qiang; Dong, Lin; Chemical communications (Cambridge, England) 51 (2015) 2844–; doi:10.1039/c4cc07125e

data_7116286
_publ_section_title
;
 Multi-site cyclization via initial C-H activation using a rhodium(iii)
 catalyst: rapid assembly of frameworks containing indoles and indolines.
;
_journal_issue                   14
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2844
_journal_paper_doi               10.1039/c4cc07125e
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C25 H23 N O2 Si, C H Cl3 '
_chemical_formula_sum            'C26 H24 Cl3 N O2 Si'
_chemical_formula_weight         516.90
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_atom_sites_solution_primary     direct
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_audit_update_record
;
2014-05-14 deposited with the CCDC.
2015-01-05 downloaded from the CCDC.
;
_cell_angle_alpha                82.268(6)
_cell_angle_beta                 87.114(6)
_cell_angle_gamma                75.081(7)
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_cell_measurement_temperature    170(2)
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_cell_measurement_theta_min      3.1678
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_computing_cell_refinement       'CrysAlis PRO (Agilent Technologies, 2011)'
_computing_data_collection       'CrysAlis PRO'
_computing_data_reduction        'CrysAlis PRO'
_computing_molecular_graphics    'OLEX2 (Dolomanov et al., 2009)'
_computing_publication_material  OLEX2
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      170(2)
_diffrn_detector_area_resol_mean 10.3592
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7849
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_diffrn_reflns_theta_min         3.17
_exptl_absorpt_coefficient_mu    0.438
_exptl_absorpt_correction_T_max  0.9176
_exptl_absorpt_correction_T_min  0.8376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis PRO (Agilent Technologies, 2011) 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
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_exptl_crystal_size_max          0.42
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_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.893
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_parameters     306
_refine_ls_number_reflns         4585
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0524P)^2^+1.5770P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1246
_refine_ls_wR_factor_ref         0.1426
_reflns_number_gt                3483
_reflns_number_total             4585
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc07125e2.cif
_cod_data_source_block           140401_dhf
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 7116285--7116286.cif.
;
_cod_original_cell_volume        1253.59(17)
_cod_database_code               7116286