3-Iodo-<small>L</small>-tyrosine Methanol Solvate (1/1)
Okabe, N.; Suga, T.; Acta Crystallographica Section C 51 (1995) 1700–1701; doi:10.1107/S010827019500271X

data_2003750
_publ_section_title
;
 3-Iodo-<small>L</small>-tyrosine Methanol Solvate (1/1)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1700
_journal_page_last               1701
_journal_paper_doi               10.1107/S010827019500271X
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'Crystallised from methanol solution'
_chemical_formula_moiety         'C9 H10 N O3 I , C H4 O'
_chemical_formula_sum            'C10 H14 I N O4'
_chemical_formula_weight         339.13
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.996(3)
_cell_length_b                   20.077(2)
_cell_length_c                   7.733(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    269
_cell_measurement_theta_max      24.92
_cell_measurement_theta_min      24.1
_cell_volume                     1241.4(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1985)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  TEXSAN
_computing_structure_solution
'SHELXS86 (Sheldrick, 1985) and DIRDIF (Beurskens, 1984)'
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1678
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        -2.40
_diffrn_standards_interval_count 150
_diffrn_standards_interval_time  170
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.549
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_density_meas      1.79(2)
_exptl_crystal_density_method    'flotation in CCl~4~/C~2~H~2~Br~4~'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.73
_refine_diff_density_min         -0.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.49
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     145
_refine_ls_number_reflns         1470
_refine_ls_R_factor_obs          0.027
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
'                    sigma w = 4F~o~^2^/\s^2^(F~o~^2^)'
_refine_ls_wR_factor_obs         0.036
_reflns_number_observed          1470
_reflns_number_total             1678
_reflns_observed_criterion       I>2.0\s(I)
_cod_data_source_file            as1168.cif
_cod_data_source_block           as1168a
_cod_original_cell_volume        1241.3(4)
_cod_database_code               2003750