V(V)-Schiff base species induce adipogenesis through structure-specific influence of genetic targets.
Salifoglou, Thanos; Tsave, Olga; Halevas, Eleftherios; Yavropoulou, Maria G.; Yovos, John G.; Hatzidimitriou, Antonios; Psycharis, Vassilis; Ypsilantis, Konstantinos; Stathi, Panagiota; New Journal of Chemistry 43 (2019) 17872–17890; doi:10.1039/C9NJ02520K

data_7058893
_publ_section_title
;
 V(V)-Schiff base species induce adipogenesis through structure-specific
 influence of genetic targets.
;
_journal_issue                   45
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17872
_journal_page_last               17890
_journal_paper_doi               10.1039/C9NJ02520K
_journal_volume                  43
_journal_year                    2019
_chemical_formula_sum            'C16 H18 N O6 V'
_chemical_formula_weight         371.25
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2019-05-06 deposited with the CCDC.    2019-10-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.5660(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.12280(10)
_cell_length_b                   22.3349(5)
_cell_length_c                   10.4326(2)
_cell_measurement_reflns_used    8080
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      71.92
_cell_measurement_theta_min      6.63
_cell_volume                     1631.55(5)
_computing_cell_refinement       'CrystalClear, Rigaku MSC, 2005'
_computing_data_collection       'CrystalClear, Rigaku MSC, 2005'
_computing_data_reduction        'CrystalClear, Rigaku MSC, 2005'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.892
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IPDS'
_diffrn_measurement_method       '\q scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_unetI/netI     0.0602
_diffrn_reflns_Laue_measured_fraction_full 0.892
_diffrn_reflns_Laue_measured_fraction_max 0.949
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10727
_diffrn_reflns_point_group_measured_fraction_full 0.892
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         64.987
_diffrn_reflns_theta_min         6.625
_diffrn_source
;
fine-focus sealed tube with graphite monochromator
;
_exptl_absorpt_coefficient_mu    5.381
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.549
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'CrystalClear, Rigaku MSC, 2005'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_description       parallelepided
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.507
_refine_diff_density_min         -0.476
_refine_diff_density_rms         0.080
_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     253
_refine_ls_number_reflns         2642
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0760P)^2^+1.2517P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1344
_refine_ls_wR_factor_ref         0.1454
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2100
_reflns_number_total             2642
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj02520k2.cif
_cod_data_source_block           compound1
_cod_database_code               7058893
_shelxl_version_number           2014/6
_shelx_res_checksum              42274