Design of a molecular memory element with an alternating circular array of dipolar rotors and rotation suppressors
Miyazaki, Takuya; Shoji, Yoshiaki; Ishiwari, Fumitaka; Kajitani, Takashi; Fukushima, Takanori; Chemical Science  (2020) –; doi:10.1039/D0SC02836C

data_1558585
_publ_section_title
;
 Design of a molecular memory element with an alternating circular array
 of dipolar rotors and rotation suppressors
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC02836C
_journal_year                    2020
_chemical_formula_sum            'C48 H30 F6 O6'
_chemical_formula_weight         816.72
_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
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_audit_update_record
;
2020-05-15 deposited with the CCDC.	2020-07-13 downloaded from the CCDC.
;
_cell_angle_alpha                69.423(2)
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_cell_length_b                   13.951(2)
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_cell_measurement_reflns_used    9384
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'Bruker Instrument Service V4.2.9 (Bruker AXS Inc., 2015)'
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'Generate Report V2014.1 (Bruker AXS Inc., 2014)'
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_computing_structure_solution    'SHELXT (Sheldrick, 2013)'
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_diffrn_measured_fraction_theta_max 0.893
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'multilayered conforcal mirror'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.993
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_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
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_diffrn_source                   'rotating anode'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS Sheldrick 1996
;
_exptl_crystal_colour            colorless
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+1.8818P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           135_C6H4F2_PhCO2Me
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_shelx_res_checksum              73798