Bovine Serum Albumin catalyzed one-pot, three-component synthesis of dihydropyrano[2,3-c]pyrazole derivatives in aqueous ethanol
Dalal, Kiran Sharad; Tayade, Yogesh Ashok; Wagh, Yogesh Baburao; Trivedi, Darshak R.; Dalal, Dipak Sharadrao; Chaudhari, Bhushan Liladhar; RSC Adv.  (2016) –; doi:10.1039/C5RA13014J

data_7224035
_publ_section_title
;
 Bovine Serum Albumin catalyzed one-pot, three-component synthesis of
 dihydropyrano[2,3-c]pyrazole derivatives in aqueous ethanol
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA13014J
_journal_year                    2016
_chemical_formula_sum            'C17 H14 Cl N5 O2'
_chemical_formula_weight         355.78
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-10-19 deposited with the CCDC.
2016-01-22 downloaded from the CCDC.
;
_cell_angle_alpha                87.988(3)
_cell_angle_beta                 78.876(3)
_cell_angle_gamma                66.293(3)
_cell_formula_units_Z            2
_cell_length_a                   8.4863(4)
_cell_length_b                   10.0369(5)
_cell_length_c                   10.8206(5)
_cell_measurement_temperature    296(2)
_cell_volume                     827.10(7)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.908
_diffrn_measurement_device_type  apexIIduo
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_av_unetI/netI     0.0528
_diffrn_reflns_Laue_measured_fraction_full 0.918
_diffrn_reflns_Laue_measured_fraction_max 0.908
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10903
_diffrn_reflns_point_group_measured_fraction_full 0.918
_diffrn_reflns_point_group_measured_fraction_max 0.908
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         1.920
_exptl_absorpt_coefficient_mu    0.253
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_description       needle
_exptl_crystal_F_000             368
_refine_diff_density_max         0.313
_refine_diff_density_min         -0.357
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.458
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     260
_refine_ls_number_reflns         2964
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.458
_refine_ls_R_factor_all          0.1161
_refine_ls_R_factor_gt           0.0858
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.9791P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2616
_refine_ls_wR_factor_ref         0.2722
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2102
_reflns_number_total             2964
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5ra13014j2.cif
_cod_data_source_block           mo_NITK409_0m_a
_cod_database_code               7224035
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              97142