Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit
Kaleta, Jiří; Michl, Josef; Mézière, Cécile; Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Batail, Patrick; CrystEngComm 17 (2015) 7829–; doi:10.1039/C5CE01372K

data_7222270
_publ_section_title
;
 Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit
;
_journal_issue                   41
_journal_name_full               CrystEngComm
_journal_page_first              7829
_journal_paper_doi               10.1039/C5CE01372K
_journal_volume                  17
_journal_year                    2015
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C28 H20 N2'
_chemical_formula_sum            'C28 H20 N2'
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_chemical_name_systematic
;
 ?
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;
2015-07-09 deposited with the CCDC.
2015-09-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 93.09(2)
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_computing_data_reduction        'CrysAlisPro, Version 1.171.37.34c'
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_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
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_diffrn_ambient_temperature      120(2)
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_diffrn_detector_type            AtlasS2
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_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
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_exptl_absorpt_correction_type   multi-scan
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34c (release 10-06-2014 CrysAlis171 .NET)
(compiled Jun 10 2014,17:39:53)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.1305
_refine_ls_R_factor_gt           0.0954
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1173P)^2^+1.4378P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2314
_refine_ls_wR_factor_ref         0.2598
_reflns_number_gt                1635
_reflns_number_total             2332
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c5ce01372k2.cif
_cod_data_source_block           structure1_120K
_cod_depositor_comments
'Adding full bibliography for 7222270--7222271.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7222270