Isoacenofuran: a novel quinoidal building block for efficient access to high-ordered polyacene derivatives.
Kitamura, Kei; Kudo, Ryoji; Sugiyama, Haruki; Uekusa, Hidehiro; Hamura, Toshiyuki; Chemical communications (Cambridge, England) 56 (2020) 14988–14991; doi:10.1039/d0cc06620f

data_7127484
_publ_section_title
;
 Isoacenofuran: a novel quinoidal building block for efficient access to
 high-ordered polyacene derivatives.
;
_journal_issue                   95
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              14988
_journal_page_last               14991
_journal_paper_doi               10.1039/d0cc06620f
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C70 H56'
_chemical_formula_sum            'C70 H56'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-10-03 deposited with the CCDC.	2020-11-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.5951(10)
_cell_angle_gamma                90
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_cell_length_b                   9.18711(17)
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_cell_measurement_reflns_used    15120
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      68.17
_cell_measurement_theta_min      4.41
_cell_volume                     2435.10(8)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
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_computing_data_reduction        'PROCESS-AUTO (Rigaku, 1998)'
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_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'RIGAKU R-AXIS RAPID-II IP Area Detector'
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_unetI/netI     0.1778
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_theta_min         5.033
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Absorption was corrected by ABSCOR'
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_refine_ls_R_factor_all          0.1527
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1285P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_sg_symbol_H-M      'P 21/n'
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