Pancratium canariense as an important source of amaryllidaceae alkaloids.
Cedrón, Juan C; Oberti, Juan C.; Estévez-Braun, Ana; Ravelo, Angel G.; Del Arco-Aguilar, Marcelino; López, Matías; Journal of natural products 72 (2009) 112–116; doi:10.1021/np800459d

data_1503677
_publ_section_title
;
 Pancratium canariense as an important source of amaryllidaceae alkaloids.
;
_journal_issue                   1
_journal_name_full               'Journal of natural products'
_journal_page_first              112
_journal_page_last               116
_journal_paper_doi               10.1021/np800459d
_journal_volume                  72
_journal_year                    2009
_chemical_formula_moiety         'C17 H17 N O6'
_chemical_formula_sum            'C17 H17 N O6'
_chemical_formula_weight         331.32
_space_group_IT_number           1
_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                100.21(11)
_cell_angle_beta                 101.26(9)
_cell_angle_gamma                91.22(7)
_cell_formula_units_Z            2
_cell_length_a                   8.163(4)
_cell_length_b                   8.220(5)
_cell_length_c                   11.652(8)
_cell_measurement_temperature    293(2)
_cell_volume                     753.4(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Giacovazzo et at.)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Kappa CCD'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0664
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3298
_diffrn_reflns_theta_full        27.14
_diffrn_reflns_theta_max         27.14
_diffrn_reflns_theta_min         3.63
_exptl_absorpt_coefficient_mu    0.112
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular shaped'
_exptl_crystal_F_000             348
_exptl_crystal_size_max          .25
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .15
_refine_diff_density_max         0.725
_refine_diff_density_min         -0.240
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       0.029(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         3298
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0928
_refine_ls_R_factor_gt           0.0707
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0865P)^2^+0.5929P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1592
_refine_ls_wR_factor_ref         0.1753
_reflns_number_gt                2649
_reflns_number_total             3298
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            np800459d_si_001.cif
_cod_data_source_block           jcedron01
_cod_original_cell_volume        753.4(8)
_cod_original_sg_symbol_H-M      P1
_cod_database_code               1503677