The synthesis and characterization of the meso-meso linked antiaromatic tetraoxa isophlorin dimer.
Reddy, Baddigam Kiran; Gadekar, Santosh C.; Anand, Venkataramanarao G.; Chemical communications (Cambridge, England) 52 (2016) 3007–3009; doi:10.1039/c5cc10370c

data_7118494
_publ_section_title
;
 The synthesis and characterization of the meso-meso linked antiaromatic
 tetraoxa isophlorin dimer.
;
_journal_issue                   14
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3007
_journal_page_last               3009
_journal_paper_doi               10.1039/c5cc10370c
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C84.86 H11.14 F8.57 O3.43'
_chemical_formula_sum            'C84.86 H11.14 F8.57 O3.43'
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_space_group_crystal_system      cubic
_space_group_IT_number           203
_space_group_name_Hall           '-F 2uv 2vw 3'
_space_group_name_H-M_alt        'F d -3'
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-11-17 deposited with the CCDC.
2016-01-11 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_limit_l_min       -69
_diffrn_reflns_number            754013
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_correction_T_max  0.988
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULTI-SCAN Absorption correction'
_exptl_crystal_colour            black
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_exptl_crystal_description       CUBE
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_refine_ls_R_factor_all          0.1940
_refine_ls_R_factor_gt           0.1296
_refine_ls_shift/su_max          0.155
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2100P)^2^+0.5883P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3647
_refine_ls_wR_factor_ref         0.4364
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8582
_reflns_number_total             14973
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc10370c2.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7118492--7118494.cif.
;
_cod_original_cell_volume        192656(58)
_cod_database_code               7118494
_shelx_estimated_absorpt_t_min   0.965
_shelx_estimated_absorpt_t_max   0.988