Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic
Chaosheng Luo; Zhen Wang; Yong Huang; Nature Communications 6 (2015) 10041–; doi:10.1038/ncomms10041

data_1548417
_publ_section_title
;
 Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a
 donor/acceptor carbene mimetic
;
_journal_name_full               'Nature Communications'
_journal_page_first              10041
_journal_paper_doi               10.1038/ncomms10041
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'C15 H20 I N O3 S'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 95.192(7)
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_cell_length_b                   5.3308(2)
_cell_length_c                   28.617(2)
_cell_measurement_reflns_used    8147
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      69.20
_cell_measurement_theta_min      7.80
_cell_volume                     1739.12(15)
_computing_cell_refinement       'CrystalClear-SM Auto 2.0 r4'
_computing_data_collection       'CrystalClear-SM 2.0 r4 (Rigaku, 2009)'
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_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Rigaku Saturn944+ CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0582
_diffrn_reflns_av_unetI/netI     0.0543
_diffrn_reflns_Laue_measured_fraction_full 0.985
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_diffrn_reflns_limit_l_min       -34
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_diffrn_reflns_theta_max         69.212
_diffrn_reflns_theta_min         7.773
_exptl_absorpt_coefficient_mu    15.667
_exptl_absorpt_correction_T_max  0.043
_exptl_absorpt_correction_T_min  0.017
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
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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^)+(0.0442P)^2^+2.2941P] where P=(Fo^2^+2Fc^2^)/3'
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_shelx_estimated_absorpt_t_min   0.089
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_shelx_hkl_checksum              82043