An expedient four-component domino protocol for the synthesis of novel benzo[a]phenazine annulated heterocycles and their photophysical studies
Khurana, Jitender M.; Chaudhary, Ankita; Lumb, Anshika; Nand, Bhaskara; Green Chemistry 14 (2012) 2321–; doi:10.1039/c2gc35644a

data_7208410
_publ_section_title
;
 An expedient four-component domino protocol for the synthesis of novel
 benzo[a]phenazine annulated heterocycles and their photophysical studies
;
_journal_issue                   8
_journal_name_full               'Green Chemistry'
_journal_page_first              2321
_journal_paper_doi               10.1039/c2gc35644a
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C32 H26 N2 O5, 2(C H Cl3)'
_chemical_formula_sum            'C34 H28 Cl6 N2 O5'
_chemical_formula_weight         757.28
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                95.484(12)
_cell_angle_beta                 112.666(17)
_cell_angle_gamma                91.976(13)
_cell_formula_units_Z            2
_cell_length_a                   11.373(2)
_cell_length_b                   11.8524(15)
_cell_length_c                   13.975(2)
_cell_measurement_reflns_used    4317
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      3.0
_cell_volume                     1725.1(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0527
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13009
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    0.542
_exptl_absorpt_correction_T_max  0.9182
_exptl_absorpt_correction_T_min  0.8900
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.997
_refine_diff_density_min         -0.601
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         6767
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.1296
_refine_ls_R_factor_gt           0.0871
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1214P)^2^+1.6103P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2353
_refine_ls_wR_factor_ref         0.2639
_reflns_number_gt                4317
_reflns_number_total             6767
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c2gc35644a.txt
_cod_data_source_block           aac-22
_cod_original_cell_volume        1725.0(5)
_cod_database_code               7208410