Methyl (3<i>R</i>*,4<i>R</i>*)-4-Hydroxy-3-phenyl-2-(<i>p</i>-toluenesulfonyl)-1,2,3,4-tetrahydro-4-isoquinolinylacetate
Urtiaga, M.K.; Badiá, D.; Domínguez, E.; González-Cameno, A.M.; Amigó, J.M.; Reventós, M.M.; Debaerdemaeker, T.; Acta Crystallographica Section C 51 (1995) 112–114; doi:10.1107/S010827019400524X

data_2010386
_publ_section_title
;Methyl
 (3<i>R</i>*,4<i>R</i>*)-4-Hydroxy-3-phenyl-2-(<i>p</i>-toluenesulfonyl)-1,2,3,4-tetrahydro-4-isoquinolinylacetate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              112
_journal_page_last               114
_journal_paper_doi               10.1107/S010827019400524X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C25 H25 N1 O5 S1'
_chemical_formula_sum            'C25 H25 N O5 S'
_chemical_formula_weight         451.536
_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_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 98.890(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   15.606(2)
_cell_length_b                   10.624(2)
_cell_length_c                   13.499(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      25
_cell_measurement_theta_min      1
_cell_volume                     2211.2(6)
_diffrn_measurement_device       'Philips PW1100'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3428
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.175
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.286
_refine_diff_density_min         -0.24
_refine_ls_goodness_of_fit_obs   0.873
_refine_ls_number_parameters     390
_refine_ls_number_reflns         2591
_refine_ls_R_factor_obs          0.037
_refine_ls_shift/esd_max         0.20
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.037
_reflns_number_observed          2595
_reflns_number_total             3072
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            li1101.cif
_cod_data_source_block           li1101a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C25 H25 N1 O5 S1'
_cod_database_code               2010386