A guanine-substituted nitronyl nitroxide radical forming a one-dimensional ferromagnetic chain.
Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji; Organic & biomolecular chemistry 5 (2007) 1641–1645; doi:10.1039/b702606d

data_7151108
_publ_section_title
;
 A guanine-substituted nitronyl nitroxide radical forming a
 one-dimensional ferromagnetic chain.
;
_journal_issue                   10
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              1641
_journal_page_last               1645
_journal_paper_doi               10.1039/b702606d
_journal_volume                  5
_journal_year                    2007
_chemical_formula_moiety         'C21 H25 Cl3 N7 O4 '
_chemical_formula_sum            'C21 H25 Cl3 N7 O4'
_chemical_formula_weight         545.83
_chemical_name_common
;
2-Amino-9-(2-(4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl-
imidazolidin-2-yl)-phenoxy)-ethyl)-1,9-dihydro-purin-6-one
;
_chemical_name_systematic
;
2-Amino-9-{2-[4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl-
imidazolidin-2-yl)-phenoxy]-ethyl}-1,9-dihydro-purin-6-one
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           'by CrystalStructure 3.7.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 99.424(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   8.380(7)
_cell_length_b                   10.583(8)
_cell_length_c                   29.23(3)
_cell_measurement_reflns_used    6575
_cell_measurement_temperature    183.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.0
_cell_volume                     2557(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.936
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.056
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            19188
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.400
_exptl_absorpt_correction_T_max  0.923
_exptl_absorpt_correction_T_min  0.573
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1132.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.51
_refine_diff_density_min         -0.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     341
_refine_ls_number_reflns         5494
_refine_ls_R_factor_gt           0.0819
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1968
_reflns_number_gt                4019
_reflns_number_total             5494
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b702606d.txt
_cod_data_source_block           1
_cod_original_cell_volume        2558(4)
_cod_original_formula_sum        'C21 H25 Cl3 N7 O4 '
_cod_database_code               7151108