Novel camphor-based pyrimidine derivatives induced cancer cell death through a ROS-mediated mitochondrial apoptosis pathway
Zhang, Yan; Wang, Yunyun; Zhao, Yuxun; Gu, Wen; Zhu, Yongqiang; Wang, Shifa; RSC Advances 9 (2019) 29711–; doi:10.1039/C9RA05900H

data_7233991
_publ_section_title
;
 Novel camphor-based pyrimidine derivatives induced cancer cell death
 through a ROS-mediated mitochondrial apoptosis pathway
;
_journal_issue                   51
_journal_name_full               'RSC Advances'
_journal_page_first              29711
_journal_paper_doi               10.1039/C9RA05900H
_journal_volume                  9
_journal_year                    2019
_chemical_formula_sum            'C18 H20 Cl N3 O0'
_chemical_formula_weight         313.82
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-04-21 deposited with the CCDC.    2019-09-16 downloaded from the CCDC.
;
_cell_angle_alpha                76.606(2)
_cell_angle_beta                 81.336(2)
_cell_angle_gamma                79.948(2)
_cell_formula_units_Z            2
_cell_length_a                   6.9895(2)
_cell_length_b                   8.6676(3)
_cell_length_c                   13.6291(5)
_cell_measurement_temperature    130(2)
_cell_volume                     785.64(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_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  0.0533
_diffrn_reflns_av_sigmaI/netI    0.0736
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16738
_diffrn_reflns_theta_full        30.54
_diffrn_reflns_theta_max         30.54
_diffrn_reflns_theta_min         2.44
_exptl_absorpt_coefficient_mu    0.243
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             332
_refine_diff_density_max         0.610
_refine_diff_density_min         -0.301
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         4625
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1118
_refine_ls_R_factor_gt           0.0679
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0571P)^2^+1.0038P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1356
_refine_ls_wR_factor_ref         0.1543
_reflns_number_gt                3192
_reflns_number_total             4625
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9ra05900h2.cif
_cod_data_source_block           xhj
_cod_database_code               7233991