Molecular tetrominoes: selective masking of the donor π-face to control the configuration of donor-acceptor complexes.
Sartucci, Jenna L.; Maity, Arindam; Mohanan, Manikandan; Bertke, Jeffery; Kertesz, Miklos; Gavvalapalli, Nagarjuna; Organic & biomolecular chemistry 20 (2022) 375–386; doi:10.1039/d1ob02293h

data_7158426
_publ_section_title
;
 Molecular tetrominoes: selective masking of the donor \p-face to control
 the configuration of donor-acceptor complexes.
;
_journal_issue                   2
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              375
_journal_page_last               386
_journal_paper_doi               10.1039/d1ob02293h
_journal_volume                  20
_journal_year                    2022
_chemical_formula_moiety         'C22 H14, 2(C8 Cl2 N2 O2)'
_chemical_formula_sum            'C38 H14 Cl4 N4 O4'
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_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     intrinsic
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-05-25 deposited with the CCDC.	2021-11-26 downloaded from the CCDC.
;
_cell_angle_alpha                92.211(8)
_cell_angle_beta                 97.288(8)
_cell_angle_gamma                102.060(7)
_cell_formula_units_Z            1
_cell_length_a                   6.4871(13)
_cell_length_b                   7.1989(15)
_cell_length_c                   17.900(4)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.33
_cell_measurement_theta_min      2.30
_cell_volume                     809.0(3)
_computing_cell_refinement       'SAINT V8.37A (Bruker, 2005)'
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_computing_data_reduction
; 
SAINT V8.37A, XPREP v2014/2, SADABS V2016/2 (Bruker, 2016) 
;
_computing_molecular_graphics    'SHELXLE v932 (Hubschle, 2011)'
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_computing_structure_solution    'SHELX-2014-5 (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'Bruker D8 Quest/Photon 100'
_diffrn_measurement_method       'profile data from \f and \w scans'
_diffrn_radiation_monochromator  'multilayer mirrors'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
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_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            44132
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             370
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_refine_diff_density_max         0.182
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         3310
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_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0327
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0443P)^2^+0.2093P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0816
_refine_ls_wR_factor_ref         0.0877
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2778
_reflns_number_total             3310
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ob02293h3.cif
_cod_data_source_block           B19324_a
_cod_depositor_comments
'Adding full bibliography for 7158425--7158427.cif.'
_cod_original_cell_volume        809.1(3)
_cod_database_code               7158426
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.881
_shelx_estimated_absorpt_t_max   0.985
_shelx_res_checksum              32341