A novel bridged nucleoside bearing a conformationally switchable sugar moiety in response to redox changes.
Baba, Takeshi; Kodama, Tetsuya; Mori, Kazuto; Imanishi, Takeshi; Obika, Satoshi; Chemical communications (Cambridge, England) 46 (2010) 8058–8060; doi:10.1039/c0cc02484h

data_7105643
_publ_section_title
;
 A novel bridged nucleoside bearing a conformationally switchable sugar
 moiety in response to redox changes.
;
_journal_issue                   42
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8058
_journal_page_last               8060
_journal_paper_doi               10.1039/c0cc02484h
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C11 H14 N2 O5 S2 '
_chemical_formula_sum            'C11 H14 N2 O5 S2'
_chemical_formula_weight         318.36
_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                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   6.75340(10)
_cell_length_b                   14.3493(3)
_cell_length_c                   14.7955(3)
_cell_measurement_reflns_used    9204
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      3.0
_cell_volume                     1433.78(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.075
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15097
_diffrn_reflns_theta_full        68.18
_diffrn_reflns_theta_max         68.18
_exptl_absorpt_coefficient_mu    3.572
_exptl_absorpt_correction_T_max  0.342
_exptl_absorpt_correction_T_min  0.168
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             664.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.08
_refine_diff_density_min         -0.61
_refine_ls_extinction_coef       87(10)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   0.856
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     206
_refine_ls_number_reflns         2191
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1059
_reflns_number_gt                2184
_reflns_number_total             2612
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            C0CC02484H.TXT
_cod_data_source_block           '_baba2'
_cod_depositor_comments          'Adding full bibliography for 7105643.cif.'
_cod_original_formula_sum        'C11 H14 N2 O5 S2 '
_cod_database_code               7105643