Molecular actuator: redox-controlled clam-like motion in a bichromophoric electron donor.
Chebny, Vincent J.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra; Organic letters 11 (2009) 1939–1942; doi:10.1021/ol900371m

data_1503856
_publ_section_title
;
 Molecular actuator: redox-controlled clam-like motion in a bichromophoric
 electron donor.
;
_journal_issue                   9
_journal_name_full               'Organic letters'
_journal_page_first              1939
_journal_page_last               1942
_journal_paper_doi               10.1021/ol900371m
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'C28 H36 O6'
_chemical_formula_weight         468.57
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 90.000(2)
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_cell_length_c                   18.420(3)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.5
_cell_volume                     4819.9(13)
_computing_cell_refinement       'SAINT v7.23A (Bruker, 2005)'
_computing_data_collection       'APEX2 v1.0-27 (Bruker, 2005)'
_computing_data_reduction        'SADABS-2004/1 (Bruker, 2005)'
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'Bruker APEX2 CCD detector'
_diffrn_measurement_method       'omega scan'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS. Program for empirical absorption correction of
 area-detector data. University of Goetingen. Germany. 
 Sheldrick, G. M. 1996
;
_exptl_crystal_colour            colourless
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_refine_ls_number_reflns         15562
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_refine_ls_R_factor_all          0.0898
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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^)+(0.0865P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_original_sg_symbol_H-M      P2(1)/c
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