Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran.
Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca; Nature chemistry 2 (2010) 588–591; doi:10.1038/nchem.667

data_1508057
_publ_section_title
;
 Cleave and capture chemistry illustrated through bimetallic-induced
 fragmentation of tetrahydrofuran.
;
_journal_issue                   7
_journal_name_full               'Nature chemistry'
_journal_page_first              588
_journal_page_last               591
_journal_paper_doi               10.1038/nchem.667
_journal_volume                  2
_journal_year                    2010
_chemical_formula_sum            'C52 H108 Mg2 N8 Na2'
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_symmetry_space_group_name_Hall  '-P 2yn'
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_cell_angle_alpha                90.00
_cell_angle_beta                 90.708(4)
_cell_angle_gamma                90.00
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_cell_length_b                   21.4955(8)
_cell_length_c                   16.5688(6)
_cell_measurement_reflns_used    14323
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      30.62
_cell_measurement_theta_min      2.62
_cell_volume                     2946.46(19)
_computing_data_collection       'OD Crysalis'
_computing_publication_material  SHELXL
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_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur S'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_max       20
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_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         2.64
_diffrn_standards_decay_%        0
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_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87005
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.17 (release 11-02-2008 CrysAlis171 .NET)
(compiled Feb 11 2008,09:33:37)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.060
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.357
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_parameters     331
_refine_ls_number_reflns         7797
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0579P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.1036
_reflns_number_gt                5648
_reflns_number_total             7797
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            nchem.667-s3.cif
_cod_data_source_block           rab4
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_cod_database_code               1508057