Symbioimine Exhibiting Inhibitory Effect of Osteoclast Differentiation, from the Symbiotic Marine Dinoflagellate Symbiodinium sp.
Masaki Kita; Mikiko Kondo; Tomoyuki Koyama; Kaoru Yamada; Tsuyosi Matsumoto; Kun-Hyung Lee; Je-Tae Woo; Daisuke Uemura; Journal of the American Chemical Society 126 (2004) 4794–4795; doi:10.1021/ja049277f

data_4112463
_publ_section_title
;
 Symbioimine Exhibiting Inhibitory Effect of Osteoclast Differentiation,
 from the Symbiotic Marine Dinoflagellate Symbiodinium sp.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4794
_journal_page_last               4795
_journal_paper_doi               10.1021/ja049277f
_journal_volume                  126
_journal_year                    2004
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C19 H23 N O5 S, H2 O'
_chemical_formula_sum            'C19 H25 N O6 S'
_chemical_formula_weight         395.47
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.055(2)
_cell_length_b                   15.043(5)
_cell_length_c                   17.448(6)
_cell_measurement_reflns_used    2848
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1851.7(10)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    directMethod
_diffrn_detector_area_resol_mean 28.57
_diffrn_measured_fraction_theta_full 0.9963
_diffrn_measured_fraction_theta_max 0.9963
_diffrn_measurement_device_type  'Rigaku/MSC Saturn70 CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.065
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15273
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.212
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.853
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, R. private communication1998)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_description       block
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.45
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_number_parameters     256
_refine_ls_number_reflns         4135
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00123|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0829
_reflns_number_gt                3158
_reflns_number_total             4262
_reflns_threshold_expression     F>0.0\s(F)
_cod_data_source_file            ja049277fsi20040209_103603.cif
_cod_data_source_block           uemura02
_cod_original_cell_volume        1851.8(10)
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C19 H25 N O6 S '
_cod_database_code               4112463