Silver-catalyzed synthesis of pyrrolopiperazine fused with oxazine/imidazole via a domino approach: evaluation of anti-cancer activity
Shiva Kumar, K.; Kumar, N. Praveen; Rajesham, Bandari; Kishan, Gugulothu; Akula, Sravani; Kancha, Rama Krishna; New Journal of Chemistry 42 (2018) 34–; doi:10.1039/C7NJ03608F

data_7056765
_publ_section_title
;
 Silver-catalyzed synthesis of pyrrolopiperazine fused with
 oxazine/imidazole via a domino approach: evaluation of anti-cancer
 activity
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              34
_journal_paper_doi               10.1039/C7NJ03608F
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety         'C28 H25 N3 O2 S'
_chemical_formula_sum            'C28 H25 N3 O2 S'
_chemical_formula_weight         467.57
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2017-06-09 deposited with the CCDC.
2017-11-26 downloaded from the CCDC.
;
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_cell_measurement_theta_min      2.42
_cell_volume                     1185.55(14)
_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
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_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 0
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker KAPPA APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.310
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_exptl_crystal_density_method    NONE
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4636
_refine_ls_number_restraints     0
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0618P)^2^+0.4698P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1135
_refine_ls_wR_factor_ref         0.1271
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3626
_reflns_number_total             4636
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7nj03608f2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7056765.cif.'
_cod_database_code               7056765
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