8-Nitroguanosines as chemical probes of the protein S-guanylation.
Saito, Yohei; Taguchi, Hirobumi; Fujii, Shigemoto; Sawa, Tomohiro; Kida, Eriko; Kabuto, Chizuko; Akaike, Takaaki; Arimoto, Hirokazu; Chemical communications (Cambridge, England)  (2008) 5984–5986; doi:10.1039/b810771h

data_7103547
_publ_section_title
;
 8-Nitroguanosines as chemical probes of the protein S-guanylation.
;
_journal_issue                   45
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5984
_journal_page_last               5986
_journal_paper_doi               10.1039/b810771h
_journal_year                    2008
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C10 H13 F N6 O7 '
_chemical_formula_sum            'C10 H13 F N6 O7'
_chemical_formula_weight         348.25
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 116.656(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   9.577(7)
_cell_length_b                   8.241(5)
_cell_length_c                   9.836(7)
_cell_measurement_reflns_used    1819
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.4
_cell_volume                     693.8(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.066
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12042
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    0.150
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_correction_T_min  0.746
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             360.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.80
_refine_diff_density_min         -0.81
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.936
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     230
_refine_ls_number_reflns         3110
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.0000
_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         0.0561
_reflns_number_gt                1645
_reflns_number_total             3110
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b810771h.txt
_cod_data_source_block           '_arimoto'
_cod_original_formula_sum        'C10 H13 F N6 O7 '
_cod_database_code               7103547