Synthesis, crystal studies and in vivo anti-hyperlipidemic activities of indole derivatives containing fluvastatin nucleus
Kalalbandi, Veerendra Kumar A.; Seetharamappa, J.; Katrahalli, Umesha; RSC Adv. 5 (2015) 38748–; doi:10.1039/C5RA02908B

data_7220182
_publ_section_title
;
 Synthesis, crystal studies and in vivo anti-hyperlipidemic activities of
 indole derivatives containing fluvastatin nucleus
;
_journal_issue                   48
_journal_name_full               'RSC Adv.'
_journal_page_first              38748
_journal_paper_doi               10.1039/C5RA02908B
_journal_volume                  5
_journal_year                    2015
_chemical_formula_sum            'C28 H23 F N2 O3'
_chemical_formula_weight         454.48
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-02-07 deposited with the CCDC.
2015-04-23 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 92.2010(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0223(2)
_cell_length_b                   9.0135(2)
_cell_length_c                   28.2468(6)
_cell_measurement_temperature    296(2)
_cell_volume                     2295.41(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0239
_diffrn_reflns_av_sigmaI/netI    0.0248
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            13460
_diffrn_reflns_theta_full        24.11
_diffrn_reflns_theta_max         24.11
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    0.091
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.178
_refine_diff_density_min         -0.198
_refine_diff_density_rms         0.035
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         3654
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0620
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.264
_refine_ls_shift/su_mean         0.022
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0496P)^2^+0.8138P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1134
_refine_ls_wR_factor_ref         0.1219
_reflns_number_gt                2863
_reflns_number_total             3654
_reflns_threshold_expression     >2sigma(I)
_publcif_datablock.id            {d9b07c30-3a98-4eff-bcb3-cd4b27cf2817}
_cod_data_source_file            c5ra02908b2.cif
_cod_data_source_block           chem_veerendrak_i2_48_17_07_0m
_cod_original_sg_symbol_H-M      P121/c1
_cod_database_code               7220182