Direct catalytic synthesis of β-(C3)-substituted pyrroles: a complementary addition to the Paal-Knorr reaction.
Pawar, Amol Prakash; Yadav, Jyothi; Mir, Nisar Ahmad; Iype, Eldhose; Rangan, Krishnan; Anthal, Sumati; Kant, Rajni; Kumar, Indresh; Chemical communications (Cambridge, England) 57 (2021) 251–254; doi:10.1039/d0cc06357f

data_7127572
_publ_section_title
;
 Direct catalytic synthesis of \b-(C3)-substituted pyrroles: a
 complementary addition to the Paal-Knorr reaction.
;
_journal_issue                   2
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              251
_journal_page_last               254
_journal_paper_doi               10.1039/d0cc06357f
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C20 H18 N2 O3'
_chemical_formula_sum            'C20 H18 N2 O3'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-02-26 deposited with the CCDC.	2020-11-23 downloaded from the CCDC.
;
_cell_angle_alpha                90.880(14)
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_cell_angle_gamma                114.477(14)
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_computing_data_collection       'CrysAlisPro,Oxford Diff.Ltd,Ver 1.171.34.40'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1049
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            transparent
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.3
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_refine_diff_density_max         0.653
_refine_diff_density_min         -0.464
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_refine_ls_extinction_coef       0.0136(15)
_refine_ls_extinction_method     SHELXL
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         2988
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.1945
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_refine_ls_shift/su_mean         0.012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4595
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_reflns_number_gt                1859
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0cc06357f2.cif
_cod_data_source_block           fisk-09re
_cod_depositor_comments
'Adding full bibliography for 7127572--7127574.cif.'
_cod_original_cell_volume        853.7(2)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7127572