An expedient microwave assisted regio- and stereoselective synthesis of spiroquinoxaline pyrrolizine derivatives and their AChE inhibitory activity
Akondi, Adinarayana Murthy; Mekala, Sowmya; Kantam, Mannepalli Lakshmi; Trivedi, Rajiv; Raju Chowhan, L.; Das, Amitava; New J. Chem. 41 (2017) 873–; doi:10.1039/C6NJ02869A

data_7055902
_publ_section_title
;
 An expedient microwave assisted regio- and stereoselective synthesis of
 spiroquinoxaline pyrrolizine derivatives and their AChE inhibitory
 activity
;
_journal_issue                   2
_journal_name_full               'New J. Chem.'
_journal_page_first              873
_journal_paper_doi               10.1039/C6NJ02869A
_journal_volume                  41
_journal_year                    2017
_chemical_formula_moiety         'C27 H21 F N4 O2'
_chemical_formula_sum            'C27 H21 F N4 O2'
_chemical_formula_weight         452.49
_chemical_melting_point          468.1(10)
_chemical_name_common            RT-L4F
_chemical_name_systematic
2'-(4-fluorophenyl)-1'-nitro-1',2',5',6',7',7a'-hexahydrospiro[indeno[1,2-b]quinoxaline-11,3'-pyrrolizine]
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2016-02-02 deposited with the CCDC.
2016-12-09 downloaded from the CCDC.
;
_cell_angle_alpha                110.202(3)
_cell_angle_beta                 91.710(3)
_cell_angle_gamma                112.977(2)
_cell_formula_units_Z            2
_cell_length_a                   9.4863(6)
_cell_length_b                   10.0848(6)
_cell_length_c                   13.3834(9)
_cell_measurement_reflns_used    10121
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      3.14
_cell_volume                     1085.99(12)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 6.849
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku SCX mini'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0189
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11036
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             472.00
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Ethanol, Chloroform'
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.320
_refine_diff_density_max         0.250
_refine_diff_density_min         -0.230
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4940
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0679P)^2^+0.2919P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1289
_reflns_number_gt                4252
_reflns_number_total             4940
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c6nj02869a2.cif
_cod_data_source_block           RT-L4F_in_P-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '467.15-469.15' was changed to
'468.1(10)' - the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7055902.cif.
;
_cod_original_cell_volume        1085.98(13)
_cod_database_code               7055902