Acridinylresorcinol as a Self-Complementary Building Block of Robust Hydrogen-Bonded 2D Nets with Coordinative Saturation. Preservation of Crystal Structures upon Guest Alteration, Guest Removal, and Host Modification
Toshihiro Tanaka; Takashi Tasaki; Yasuhiro Aoyama; Journal of the American Chemical Society 124 (2002) 12453–12462; doi:10.1021/ja026704l

data_4115206
_publ_section_title
;
 Acridinylresorcinol as a Self-Complementary Building Block of Robust
 Hydrogen-Bonded 2D Nets with Coordinative Saturation. Preservation of
 Crystal Structures upon Guest Alteration, Guest Removal, and Host
 Modification
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12453
_journal_page_last               12462
_journal_paper_doi               10.1021/ja026704l
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C20 H14 Cl3 N O2 '
_chemical_formula_sum            'C20 H14 Cl3 N O2'
_chemical_formula_weight         406.70
_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'
_cell_angle_alpha                90
_cell_angle_beta                 100.47(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.913(2)
_cell_length_b                   13.957(2)
_cell_length_c                   15.099(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295.1
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.7
_cell_volume                     1847.0(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9989
_diffrn_measured_fraction_theta_max 0.9989
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            4587
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        1.08
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.510
_exptl_absorpt_correction_T_max  0.926
_exptl_absorpt_correction_T_min  0.809
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.268
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     289
_refine_ls_number_reflns         2728
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.005Fo^2^ + 1.000\s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1000
_reflns_number_gt                2728
_reflns_number_total             4428
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja026704l-2_s2_2.cif
_cod_data_source_block           3-chloroform
_cod_original_cell_volume        1847.0(5)
_cod_original_formula_sum        'C20 H14 Cl3 N O2 '
_cod_database_code               4115206