Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.
Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas; Organic & biomolecular chemistry 12 (2014) 8641–8645; doi:10.1039/c4ob01693a

data_7154038
_publ_section_title
;
 Regioselective \p-extension of indoles with rhodium enalcarbenoids -
 synthesis of substituted carbazoles.
;
_journal_issue                   43
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              8641
_journal_page_last               8645
_journal_paper_doi               10.1039/c4ob01693a
_journal_volume                  12
_journal_year                    2014
_chemical_formula_moiety         'C28 H23 N O3'
_chemical_formula_sum            'C28 H23 N O3'
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_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 90.654(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.491(2)
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_cell_length_c                   22.346(3)
_cell_measurement_reflns_used    3741
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_cell_measurement_theta_min      2.84
_cell_volume                     2168.0(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
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_diffrn_radiation_monochromator  graphite
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_exptl_absorpt_coefficient_mu    0.084
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_exptl_absorpt_correction_T_min  0.9705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             888
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_refine_diff_density_max         0.206
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     288
_refine_ls_number_reflns         3976
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      0.992
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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^)+(0.0647P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1196
_refine_ls_wR_factor_ref         0.1541
_reflns_number_gt                1780
_reflns_number_total             3976
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ob01693a3.cif
_cod_data_source_block           R2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7154036--7154038.cif.

The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7154038